| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 30.2 | Very low | 35.2 | Very low | 12 Ų | 12 | 10.1 Ų | 10.1 | 6% | 0.059 | 6% | 0.056 | C | C | . | . | 0 | -127.1 | 0 | -67.3 | -44.6 | -147.2 | 0 | 0 | 110.2 | Y3 L4 I5 E143 E146 L147 V282 | M1-Y3 PolarHBondContact O-N 3.2Å; M1-L4 PolarHBondContact O-N 3.42Å; M1-I5 HydrophobicContact CB-CD1 4.21Å; M1-I5 PolarHBondContact O-N 2.82Å; M1-I5 VanDerWaalsContact O-N 3.14Å; M1-I5 HydrophobicContact SD-CD1 3.53Å; M1-I5 VanDerWaalsContact SD-CD1 3.53Å; M1-E143 HydrophobicContact CB-CB 4.41Å; M1-E143 HydrophobicContact CE-CB 4.36Å; M1-E143 WeakPolarHBondContact CE-OE2 3.32Å; M1-E143 HydrophobicContact CG-CB 4.46Å; M1-E143 HydrophobicContact SD-CB 4.3Å; M1-E143 VanDerWaalsContact SD-OE2 3.38Å; M1-E146 HydrophobicContact CE-CG 4.25Å; M1-L147 HydrophobicContact CG-CD1 4.09Å; M1-V282 HydrophobicContact CE-CG1 4.01Å; M1-V282 HydrophobicContact CG-CG1 3.85Å; M1-V282 HydrophobicContact SD-CG1 3.33Å; M1-V282 WeakPolarHBondContact SD-CG1 3.12Å | |||
| 2 | I | 26.2 | Very low | 35.5 | Very low | 8 Ų | 8 | 9.5 Ų | 9.5 | 4% | 0.041 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -4.9 | -72.8 | -173.8 | -47 | 93 | 0 | 0 | 0 | 115 | L4 I5 L6 I140 F144 L208 | I2-L4 PolarHBondContact O-N 3.38Å; I2-I5 CarbonylContact O-C 3.58Å; I2-I5 WeakPolarHBondContact O-CB 3.18Å; I2-I5 PolarHBondContact O-N 2.66Å; I2-L6 HydrophobicContact CG2-CD1 3.72Å; I2-L6 WeakPolarHBondContact O-CA 3.28Å; I2-L6 VanDerWaalsContact O-CB 3.23Å; I2-L6 WeakPolarHBondContact O-CB 3.44Å; I2-L6 WeakPolarHBondContact O-CD1 3.33Å; I2-L6 PolarHBondContact O-N 2.89Å; I2-I140 HydrophobicContact CG1-CG2 3.99Å; I2-I140 HydrophobicContact CG2-CD1 3.63Å; I2-I140 HydrophobicContact CG2-CG1 3.67Å; I2-I140 HydrophobicContact CG2-CG2 4.2Å; I2-F144 HydrophobicContact CD1-CD1 4.01Å; I2-F144 HydrophobicContact CD1-CE1 3.54Å; I2-F144 HydrophobicContact CG1-CD1 4.05Å; I2-F144 HydrophobicContact CG1-CE1 3.53Å; I2-F144 HydrophobicContact CG1-CZ 4.36Å; I2-L208 HydrophobicContact CB-CD2 3.99Å; I2-L208 HydrophobicContact CD1-CD2 4.33Å; I2-L208 HydrophobicContact CG1-CD2 3.81Å; I2-L208 HydrophobicContact CG2-CD1 3.84Å; I2-L208 HydrophobicContact CG2-CD2 3.51Å; I2-L208 HydrophobicContact CG2-CG 4.28Å |
| 3 | Y | 34.1 | Very low | 35.8 | Very low | 3 Ų | 3 | 9.5 Ų | 9.5 | 1% | 0.012 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -60.5 | -33.8 | -172.6 | -68.7 | -101.7 | 0 | 0 | 0 | 117.2 | M1 L6 I7 F206 H207 L208 V224 M226 F257 | M1-Y3 PolarHBondContact O-N 3.2Å; Y3-L6 CarbonylContact O-C 3.6Å; Y3-L6 WeakPolarHBondContact O-CA 3.45Å; Y3-L6 WeakPolarHBondContact O-CB 3.47Å; Y3-L6 PolarHBondContact O-N 2.65Å; Y3-I7 PolarHBondContact O-N 2.85Å; Y3-F206 AromaticContact CD1-CD1 3.36Å; Y3-F206 HydrophobicContact CD1-CD1 3.36Å; Y3-F206 AromaticContact CD1-CE1 3.82Å; Y3-F206 HydrophobicContact CD1-CE1 3.82Å; Y3-F206 HydrophobicContact CD1-CG 4.39Å; Y3-F206 AromaticContact CE1-CD1 3.22Å; Y3-F206 HydrophobicContact CE1-CD1 3.22Å; Y3-F206 AromaticContact CE1-CE1 3.58Å; Y3-F206 HydrophobicContact CE1-CE1 3.58Å; Y3-F206 HydrophobicContact CE1-CG 4.43Å; Y3-F206 HydrophobicContact CE2-CE1 4.25Å; Y3-F206 HydrophobicContact CG-CD1 4.24Å; Y3-F206 HydrophobicContact CG-CE1 4.34Å; Y3-F206 AromaticContact CZ-CD1 3.84Å; Y3-F206 AromaticContact CZ-CE1 3.69Å; Y3-H207 WeakPolarHBondContact OH-CA 3.29Å; Y3-L208 HydrophobicContact CE2-CB 4.02Å; Y3-L208 HydrophobicContact CE2-CD2 4.18Å; Y3-L208 WeakPolarHBondContact OH-CB 3.1Å; Y3-L208 PolarHBondContact OH-N 3.03Å; Y3-V224 HydrophobicContact CD2-CG1 4.12Å; Y3-V224 HydrophobicContact CE1-CG1 3.92Å; Y3-V224 HydrophobicContact CE2-CB 3.81Å; Y3-V224 HydrophobicContact CE2-CG1 3.35Å; Y3-V224 WeakPolarHBondContact OH-CB 3.36Å; Y3-V224 WeakPolarHBondContact OH-CG1 3.06Å; Y3-V224 PolarHBondContact OH-O 3.34Å; Y3-M226 HydrophobicContact CD1-CB 3.31Å; Y3-M226 HydrophobicContact CD1-CE 4.31Å; Y3-M226 HydrophobicContact CD1-CG 4.36Å; Y3-M226 HydrophobicContact CD1-SD 4.18Å; Y3-M226 HydrophobicContact CE1-CB 3.74Å; Y3-M226 HydrophobicContact CG-CB 4.35Å; Y3-M226 HydrophobicContact CG-CE 4.3Å; Y3-F257 HydrophobicContact CD1-CE1 4.32Å; Y3-F257 HydrophobicContact CD2-CE1 4.37Å; Y3-F257 HydrophobicContact CG-CE1 4.03Å |
| 4 | L | 36.8 | Very low | 36.3 | Very low | 3 Ų | 3 | 9.4 Ų | 9.4 | 2% | 0.016 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -110.4 | -13.9 | -179.2 | -96.9 | 153.6 | 0 | 0 | 0 | 112.7 | M1 I2 I7 S8 M226 V229 F249 V255 I283 | M1-L4 PolarHBondContact O-N 3.42Å; I2-L4 PolarHBondContact O-N 3.38Å; L4-I7 HydrophobicContact CD2-CB 3.85Å; L4-I7 HydrophobicContact CD2-CD1 4.17Å; L4-I7 HydrophobicContact CD2-CG2 4.26Å; L4-I7 HydrophobicContact CG-CB 4.45Å; L4-I7 HydrophobicContact CG-CD1 4.35Å; L4-S8 VanDerWaalsContact O-CB 3.26Å; L4-S8 WeakPolarHBondContact O-CB 3.02Å; L4-S8 PolarHBondContact O-N 3.19Å; L4-S8 VanDerWaalsContact O-N 3.16Å; L4-S8 PolarHBondContact O-OG 3.2Å; L4-M226 HydrophobicContact CD1-CE 3.72Å; L4-M226 HydrophobicContact CG-CE 4.02Å; L4-V229 HydrophobicContact CD1-CG2 4.18Å; L4-F249 HydrophobicContact CD2-CE2 3.88Å; L4-F249 HydrophobicContact CD2-CZ 3.96Å; L4-V255 HydrophobicContact CD1-CG1 4.5Å; L4-V255 HydrophobicContact CD1-CG2 4.06Å; L4-I283 HydrophobicContact CB-CD1 4.5Å; L4-I283 HydrophobicContact CB-CG1 4.09Å; L4-I283 HydrophobicContact CD1-CD1 3.38Å; L4-I283 HydrophobicContact CD1-CG1 3.72Å; L4-I283 HydrophobicContact CD1-CG2 4.25Å |
| 5 | I | 36 | Very low | 37 | Very low | 8 Ų | 8 | 10.8 Ų | 10.8 | 4% | 0.041 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -54.8 | -48.5 | 141.6 | -86 | 82 | 0 | 0 | 0 | 107.4 | M1 I2 S8 A9 M136 E143 | M1-I5 HydrophobicContact CB-CD1 4.21Å; M1-I5 PolarHBondContact O-N 2.82Å; M1-I5 VanDerWaalsContact O-N 3.14Å; M1-I5 HydrophobicContact SD-CD1 3.53Å; M1-I5 VanDerWaalsContact SD-CD1 3.53Å; I2-I5 CarbonylContact O-C 3.58Å; I2-I5 WeakPolarHBondContact O-CB 3.18Å; I2-I5 PolarHBondContact O-N 2.66Å; I5-S8 CarbonylContact O-C 3.53Å; I5-S8 VanDerWaalsContact O-C 3.22Å; I5-S8 VanDerWaalsContact O-CA 3.31Å; I5-S8 WeakPolarHBondContact O-CA 3.48Å; I5-S8 WeakPolarHBondContact O-CB 3.34Å; I5-S8 PolarHBondContact O-N 3.34Å; I5-S8 PolarHBondContact O-OG 2.94Å; I5-A9 HydrophobicContact CG2-CB 4.09Å; I5-A9 WeakPolarHBondContact O-CA 3.28Å; I5-A9 WeakPolarHBondContact O-CB 3.34Å; I5-A9 PolarHBondContact O-N 3.44Å; I5-M136 HydrophobicContact CG2-CE 4.04Å; I5-E143 HydrophobicContact CD1-CB 4.28Å; I5-E143 HydrophobicContact CD1-CG 4.13Å; I5-E143 HydrophobicContact CG1-CB 4.42Å; I5-E143 HydrophobicContact CG1-CG 3.89Å |
| 6 | L | 36.2 | Very low | 37.4 | Very low | 4 Ų | 4 | 11.6 Ų | 11.6 | 2% | 0.021 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -63 | -46.1 | -177.3 | -109 | 134.3 | 0 | 0 | 0 | 114.3 | I2 Y3 S8 A9 F10 M136 I140 L167 F206 | I2-L6 HydrophobicContact CG2-CD1 3.72Å; I2-L6 WeakPolarHBondContact O-CA 3.28Å; I2-L6 VanDerWaalsContact O-CB 3.23Å; I2-L6 WeakPolarHBondContact O-CB 3.44Å; I2-L6 WeakPolarHBondContact O-CD1 3.33Å; I2-L6 PolarHBondContact O-N 2.89Å; Y3-L6 CarbonylContact O-C 3.6Å; Y3-L6 WeakPolarHBondContact O-CA 3.45Å; Y3-L6 WeakPolarHBondContact O-CB 3.47Å; Y3-L6 PolarHBondContact O-N 2.65Å; L6-S8 PolarHBondContact O-N 3.16Å; L6-A9 CarbonylContact O-C 3.59Å; L6-A9 PolarHBondContact O-N 2.7Å; L6-A9 VanDerWaalsContact O-N 3.08Å; L6-F10 WeakPolarHBondContact O-CA 3.32Å; L6-F10 WeakPolarHBondContact O-CB 3.46Å; L6-F10 PolarHBondContact O-N 3.29Å; L6-M136 HydrophobicContact CD1-CE 3.94Å; L6-M136 HydrophobicContact CD1-CG 4.16Å; L6-M136 HydrophobicContact CD1-SD 4.17Å; L6-M136 HydrophobicContact CD2-CE 4.31Å; L6-M136 HydrophobicContact CD2-CG 3.82Å; L6-M136 HydrophobicContact CD2-SD 3.49Å; L6-M136 WeakPolarHBondContact CD2-SD 3.22Å; L6-M136 HydrophobicContact CG-CE 3.62Å; L6-M136 HydrophobicContact CG-CG 4.02Å; L6-M136 HydrophobicContact CG-SD 3.49Å; L6-M136 WeakPolarHBondContact CG-SD 3.45Å; L6-I140 HydrophobicContact CD1-CD1 3.95Å; L6-I140 HydrophobicContact CD1-CG1 4.45Å; L6-L167 HydrophobicContact CD2-CD2 3.37Å; L6-F206 HydrophobicContact CD1-CD2 4.13Å; L6-F206 HydrophobicContact CD1-CE1 3.82Å; L6-F206 HydrophobicContact CD1-CE2 3.27Å; L6-F206 HydrophobicContact CD1-CZ 3.11Å; L6-F206 HydrophobicContact CD2-CD2 3.69Å; L6-F206 HydrophobicContact CD2-CE2 3.32Å; L6-F206 HydrophobicContact CD2-CZ 4.14Å; L6-F206 HydrophobicContact CG-CD2 4.33Å; L6-F206 HydrophobicContact CG-CE2 3.8Å; L6-F206 HydrophobicContact CG-CZ 4.13Å |
| 7 | I | 38.3 | Very low | 37.7 | Very low | 10 Ų | 10 | 12.6 Ų | 12.6 | 5% | 0.051 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -63.9 | -36.1 | 172.4 | -69.1 | 170.5 | 0 | 0 | 0 | 110.2 | Y3 L4 A9 C11 P172 I200 Y202 M226 V229 | Y3-I7 PolarHBondContact O-N 2.85Å; L4-I7 HydrophobicContact CD2-CB 3.85Å; L4-I7 HydrophobicContact CD2-CD1 4.17Å; L4-I7 HydrophobicContact CD2-CG2 4.26Å; L4-I7 HydrophobicContact CG-CB 4.45Å; L4-I7 HydrophobicContact CG-CD1 4.35Å; I7-A9 VanDerWaalsContact C-N 3.28Å; I7-A9 PolarHBondContact O-N 3.3Å; I7-C11 WeakPolarHBondContact O-CB 3.09Å; I7-C11 PolarHBondContact O-N 3.27Å; I7-C11 PolarHBondContact O-SG 3.12Å; I7-P172 HydrophobicContact CG1-CG 4.28Å; I7-P172 HydrophobicContact CG2-CG 4.15Å; I7-I200 HydrophobicContact CG2-CD1 3.86Å; I7-Y202 HydrophobicContact CD1-CD1 3.96Å; I7-Y202 HydrophobicContact CD1-CG 3.9Å; I7-M226 HydrophobicContact CD1-SD 3.74Å; I7-V229 HydrophobicContact CD1-CB 4.02Å; I7-V229 HydrophobicContact CD1-CG1 4.45Å; I7-V229 HydrophobicContact CD1-CG2 3.69Å |
| 8 | S | 35.3 | Very low | 38.2 | Very low | 5 Ų | 5 | 14 Ų | 14 | 4% | 0.035 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -73.6 | -11.6 | 173 | 88.5 | 0 | 0 | 0 | 0 | 116 | L4 I5 L6 G12 F247 R295 | L4-S8 VanDerWaalsContact O-CB 3.26Å; L4-S8 WeakPolarHBondContact O-CB 3.02Å; L4-S8 PolarHBondContact O-N 3.19Å; L4-S8 VanDerWaalsContact O-N 3.16Å; L4-S8 PolarHBondContact O-OG 3.2Å; I5-S8 CarbonylContact O-C 3.53Å; I5-S8 VanDerWaalsContact O-C 3.22Å; I5-S8 VanDerWaalsContact O-CA 3.31Å; I5-S8 WeakPolarHBondContact O-CA 3.48Å; I5-S8 WeakPolarHBondContact O-CB 3.34Å; I5-S8 PolarHBondContact O-N 3.34Å; I5-S8 PolarHBondContact O-OG 2.94Å; L6-S8 PolarHBondContact O-N 3.16Å; S8-G12 WeakPolarHBondContact O-CA 3.31Å; S8-G12 PolarHBondContact O-N 3.36Å; S8-G12 VanDerWaalsContact O-N 3.15Å; S8-F247 VanDerWaalsContact CB-CE1 3.43Å; S8-R295 VanDerWaalsContact CB-NH2 3.33Å; S8-R295 PolarHBondContact O-NH1 2.72Å; S8-R295 PolarHBondContact OG-NH2 3.01Å |
| 9 | A | 35 | Very low | 38.7 | Very low | 7 Ų | 7 | 15.3 Ų | 15.3 | 6% | 0.058 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -120.5 | -8.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | I5 L6 I7 A13 W135 M136 | I5-A9 HydrophobicContact CG2-CB 4.09Å; I5-A9 WeakPolarHBondContact O-CA 3.28Å; I5-A9 WeakPolarHBondContact O-CB 3.34Å; I5-A9 PolarHBondContact O-N 3.44Å; L6-A9 CarbonylContact O-C 3.59Å; L6-A9 PolarHBondContact O-N 2.7Å; L6-A9 VanDerWaalsContact O-N 3.08Å; I7-A9 VanDerWaalsContact C-N 3.28Å; I7-A9 PolarHBondContact O-N 3.3Å; A9-A13 VanDerWaalsContact C-N 3.35Å; A9-A13 WeakPolarHBondContact O-CA 3.5Å; A9-A13 WeakPolarHBondContact O-CB 3.32Å; A9-A13 PolarHBondContact O-N 3.37Å; A9-W135 HydrophobicContact CB-CH2 3.63Å; A9-W135 HydrophobicContact CB-CZ3 3.73Å; A9-W135 VanDerWaalsContact O-CH2 3.24Å; A9-W135 WeakPolarHBondContact O-CH2 3.15Å; A9-W135 WeakPolarHBondContact O-CZ3 3.15Å; A9-M136 HydrophobicContact CB-CE 4.17Å; A9-M136 HydrophobicContact CB-SD 4.24Å |
| 10 | F | 39.5 | Very low | 39 | Very low | 25 Ų | 25 | 19.4 Ų | 19.4 | 11% | 0.11 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -98.7 | -48.7 | 167 | 179.6 | -95.9 | 0 | 0 | 0 | 108.3 | L6 G12 A13 V14 F123 L167 L171 P172 | L6-F10 WeakPolarHBondContact O-CA 3.32Å; L6-F10 WeakPolarHBondContact O-CB 3.46Å; L6-F10 PolarHBondContact O-N 3.29Å; F10-G12 PolarHBondContact O-N 3.3Å; F10-A13 PolarHBondContact O-N 3.02Å; F10-V14 HydrophobicContact CD1-CG2 4.31Å; F10-V14 HydrophobicContact CD2-CG2 4.11Å; F10-V14 HydrophobicContact CE1-CG2 3.81Å; F10-V14 HydrophobicContact CE2-CG2 3.57Å; F10-V14 HydrophobicContact CG-CG2 4.43Å; F10-V14 HydrophobicContact CZ-CG2 3.41Å; F10-V14 VanDerWaalsContact CZ-CG2 3.41Å; F10-V14 WeakPolarHBondContact O-CA 3.02Å; F10-V14 WeakPolarHBondContact O-CB 3.29Å; F10-V14 WeakPolarHBondContact O-CG2 3.34Å; F10-V14 PolarHBondContact O-N 3.45Å; F10-F123 HydrophobicContact CE1-CD2 4.36Å; F10-F123 AromaticContact CE2-CD2 3.32Å; F10-F123 HydrophobicContact CE2-CD2 3.32Å; F10-F123 AromaticContact CE2-CE2 3.72Å; F10-F123 HydrophobicContact CE2-CE2 3.72Å; F10-F123 HydrophobicContact CE2-CG 4.3Å; F10-F123 HydrophobicContact CZ-CB 3.96Å; F10-F123 AromaticContact CZ-CD2 3.22Å; F10-F123 HydrophobicContact CZ-CD2 3.22Å; F10-F123 AromaticContact CZ-CE2 3.83Å; F10-F123 HydrophobicContact CZ-CE2 3.83Å; F10-F123 AromaticContact CZ-CG 3.77Å; F10-F123 HydrophobicContact CZ-CG 3.77Å; F10-L167 HydrophobicContact CD2-CD2 4.29Å; F10-L171 HydrophobicContact CE1-CB 3.86Å; F10-L171 HydrophobicContact CZ-CB 4.33Å; F10-P172 HydrophobicContact CD1-CG 4.15Å |
| 11 | C | 40 | Very low | 39.2 | Very low | 26 Ų | 26 | 23.8 Ų | 23.8 | 18% | 0.176 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.8 | -39.6 | 161 | -53.2 | 0 | 0 | 0 | 0 | 109.1 | I7 V15 F174 | I7-C11 WeakPolarHBondContact O-CB 3.09Å; I7-C11 PolarHBondContact O-N 3.27Å; I7-C11 PolarHBondContact O-SG 3.12Å; C11-V15 WeakPolarHBondContact O-CB 3.43Å; C11-V15 WeakPolarHBondContact O-CG2 3.33Å; C11-V15 PolarHBondContact O-N 3.23Å; C11-F174 HydrophobicContact CB-CZ 4.31Å |
| 12 | G | 38 | Very low | 39.9 | Very low | 3 Ų | 3 | 28.6 Ų | 28.6 | 3% | 0.031 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.4 | -45.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | S8 F10 T16 | S8-G12 WeakPolarHBondContact O-CA 3.31Å; S8-G12 PolarHBondContact O-N 3.36Å; S8-G12 VanDerWaalsContact O-N 3.15Å; F10-G12 PolarHBondContact O-N 3.3Å; G12-T16 WeakPolarHBondContact O-CA 3.25Å; G12-T16 WeakPolarHBondContact O-CB 3.25Å; G12-T16 PolarHBondContact O-N 2.82Å; G12-T16 PolarHBondContact O-OG1 3.24Å |
| 13 | A | 39.3 | Very low | 40.5 | Very low | 10 Ų | 10 | 32.6 Ų | 32.6 | 8% | 0.083 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -83.5 | -25.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | A9 F10 T16 L17 W135 | A9-A13 VanDerWaalsContact C-N 3.35Å; A9-A13 WeakPolarHBondContact O-CA 3.5Å; A9-A13 WeakPolarHBondContact O-CB 3.32Å; A9-A13 PolarHBondContact O-N 3.37Å; F10-A13 PolarHBondContact O-N 3.02Å; A13-T16 PolarHBondContact O-N 3.01Å; A13-L17 HydrophobicContact CB-CD1 4.29Å; A13-L17 WeakPolarHBondContact O-CA 3.23Å; A13-L17 WeakPolarHBondContact O-CB 3.34Å; A13-L17 VanDerWaalsContact O-CD1 3.29Å; A13-L17 WeakPolarHBondContact O-CD1 3.35Å; A13-L17 WeakPolarHBondContact O-CG 3.35Å; A13-L17 PolarHBondContact O-N 3.31Å; A13-W135 HydrophobicContact CB-CE3 4.24Å; A13-W135 HydrophobicContact CB-CH2 3.72Å; A13-W135 HydrophobicContact CB-CZ2 4.22Å; A13-W135 HydrophobicContact CB-CZ3 3.73Å |
| 14 | V | 43.3 | Very low | 40.8 | Very low | 8 Ų | 8 | 37 Ų | 37 | 5% | 0.048 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -69.3 | -45.1 | 168.7 | 171.3 | 0 | 0 | 0 | 0 | 108.8 | F10 T16 L17 M18 F119 | F10-V14 HydrophobicContact CD1-CG2 4.31Å; F10-V14 HydrophobicContact CD2-CG2 4.11Å; F10-V14 HydrophobicContact CE1-CG2 3.81Å; F10-V14 HydrophobicContact CE2-CG2 3.57Å; F10-V14 HydrophobicContact CG-CG2 4.43Å; F10-V14 HydrophobicContact CZ-CG2 3.41Å; F10-V14 VanDerWaalsContact CZ-CG2 3.41Å; F10-V14 WeakPolarHBondContact O-CA 3.02Å; F10-V14 WeakPolarHBondContact O-CB 3.29Å; F10-V14 WeakPolarHBondContact O-CG2 3.34Å; F10-V14 PolarHBondContact O-N 3.45Å; V14-T16 VanDerWaalsContact C-N 3.34Å; V14-T16 PolarHBondContact O-N 3.01Å; V14-L17 PolarHBondContact O-N 2.99Å; V14-M18 HydrophobicContact CG1-CG 4.18Å; V14-M18 WeakPolarHBondContact O-CA 3.42Å; V14-M18 WeakPolarHBondContact O-CB 3.44Å; V14-M18 WeakPolarHBondContact O-CG 3.43Å; V14-M18 PolarHBondContact O-N 2.93Å; V14-F119 HydrophobicContact CG1-CB 4.1Å; V14-F119 HydrophobicContact CG1-CD1 3.29Å; V14-F119 HydrophobicContact CG1-CE1 3.87Å; V14-F119 HydrophobicContact CG1-CG 3.82Å |
| 15 | V | 46.8 | Very low | 40.8 | Very low | 30 Ų | 30 | 47.3 Ų | 47.3 | 18% | 0.182 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67 | -34.7 | 172.9 | 175.4 | 0 | 0 | 0 | 0 | 111.5 | C11 L19 F119 P298 F299 | C11-V15 WeakPolarHBondContact O-CB 3.43Å; C11-V15 WeakPolarHBondContact O-CG2 3.33Å; C11-V15 PolarHBondContact O-N 3.23Å; V15-L19 HydrophobicContact CG1-CD1 4.16Å; V15-L19 WeakPolarHBondContact O-CD1 3.43Å; V15-L19 PolarHBondContact O-N 3.48Å; V15-F119 HydrophobicContact CG2-CZ 4.41Å; V15-P298 HydrophobicContact CG1-CG 3.94Å; V15-F299 HydrophobicContact CG1-CE1 4.09Å; V15-F299 HydrophobicContact CG1-CE2 3.77Å; V15-F299 HydrophobicContact CG1-CZ 3.33Å |
| 16 | T | 43.2 | Very low | 41 | Very low | 24 Ų | 24 | 56.1 Ų | 56.1 | 15% | 0.147 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -73.9 | -36.3 | 175.5 | -59.9 | 0 | 0 | 0 | 0 | 113 | G12 A13 V14 Q20 P298 | G12-T16 WeakPolarHBondContact O-CA 3.25Å; G12-T16 WeakPolarHBondContact O-CB 3.25Å; G12-T16 PolarHBondContact O-N 2.82Å; G12-T16 PolarHBondContact O-OG1 3.24Å; A13-T16 PolarHBondContact O-N 3.01Å; V14-T16 VanDerWaalsContact C-N 3.34Å; V14-T16 PolarHBondContact O-N 3.01Å; T16-Q20 HydrophobicContact CG2-CG 4.16Å; T16-Q20 WeakPolarHBondContact O-CA 3.15Å; T16-Q20 WeakPolarHBondContact O-CB 3.43Å; T16-Q20 WeakPolarHBondContact O-CG 3.12Å; T16-Q20 PolarHBondContact O-N 3.18Å; T16-P298 HydrophobicContact CG2-CB 4.07Å; T16-P298 WeakPolarHBondContact OG1-CD 3.39Å |
| 17 | L | 42.5 | Very low | 40.9 | Very low | 29 Ų | 29 | 65.3 Ų | 65.3 | 15% | 0.152 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -75.9 | -33.2 | 173.2 | -71.3 | 157.4 | 0 | 0 | 0 | 110.2 | A13 V14 Q20 F21 L126 V132 | A13-L17 HydrophobicContact CB-CD1 4.29Å; A13-L17 WeakPolarHBondContact O-CA 3.23Å; A13-L17 WeakPolarHBondContact O-CB 3.34Å; A13-L17 VanDerWaalsContact O-CD1 3.29Å; A13-L17 WeakPolarHBondContact O-CD1 3.35Å; A13-L17 WeakPolarHBondContact O-CG 3.35Å; A13-L17 PolarHBondContact O-N 3.31Å; V14-L17 PolarHBondContact O-N 2.99Å; L17-Q20 PolarHBondContact O-N 2.89Å; L17-F21 HydrophobicContact CB-CD2 4.41Å; L17-F21 HydrophobicContact CD2-CE2 4.29Å; L17-F21 VanDerWaalsContact O-CB 3.24Å; L17-F21 WeakPolarHBondContact O-CB 3.43Å; L17-F21 VanDerWaalsContact O-CD2 3.28Å; L17-F21 WeakPolarHBondContact O-CD2 3.28Å; L17-F21 PolarHBondContact O-N 3.16Å; L17-L126 HydrophobicContact CB-CD1 4.11Å; L17-L126 HydrophobicContact CD1-CD1 4.03Å; L17-V132 HydrophobicContact CD1-CG2 3.89Å |
| 18 | M | 46.9 | Very low | 40.8 | Very low | 37 Ų | 37 | 72.2 Ų | 72.2 | 18% | 0.182 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -57.9 | -55.7 | 169 | -77.1 | -107.4 | 52.6 | 0 | 0 | 110.4 | V14 F21 L22 I118 F119 L122 | V14-M18 HydrophobicContact CG1-CG 4.18Å; V14-M18 WeakPolarHBondContact O-CA 3.42Å; V14-M18 WeakPolarHBondContact O-CB 3.44Å; V14-M18 WeakPolarHBondContact O-CG 3.43Å; V14-M18 PolarHBondContact O-N 2.93Å; M18-F21 PolarHBondContact O-N 2.79Å; M18-L22 HydrophobicContact CE-CD1 4.42Å; M18-L22 VanDerWaalsContact O-CB 3.29Å; M18-L22 WeakPolarHBondContact O-CB 3.29Å; M18-L22 WeakPolarHBondContact O-CD1 3.23Å; M18-L22 WeakPolarHBondContact O-CG 3.07Å; M18-L22 PolarHBondContact O-N 3.49Å; M18-I118 HydrophobicContact CE-CG2 3.78Å; M18-I118 HydrophobicContact SD-CG2 3.43Å; M18-I118 WeakPolarHBondContact SD-CG2 3.41Å; M18-F119 HydrophobicContact CG-CD1 4.4Å; M18-F119 HydrophobicContact CG-CE1 4.1Å; M18-F119 HydrophobicContact SD-CD1 4.13Å; M18-F119 HydrophobicContact SD-CE1 3.87Å; M18-L122 HydrophobicContact CE-CD1 3.8Å; M18-L122 HydrophobicContact CG-CD1 3.53Å; M18-L122 HydrophobicContact SD-CD1 3.62Å |
| 19 | L | 47.3 | Very low | 40.8 | Very low | 39 Ų | 39 | 77 Ų | 77 | 20% | 0.204 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -68.8 | -38 | 178.1 | -93.1 | 82.3 | 0 | 0 | 0 | 112.2 | V15 L22 L23 P298 F299 | V15-L19 HydrophobicContact CG1-CD1 4.16Å; V15-L19 WeakPolarHBondContact O-CD1 3.43Å; V15-L19 PolarHBondContact O-N 3.48Å; L19-L22 PolarHBondContact O-N 3.26Å; L19-L23 WeakPolarHBondContact O-CB 3.42Å; L19-L23 WeakPolarHBondContact O-CD1 3.3Å; L19-L23 WeakPolarHBondContact O-CG 3.32Å; L19-L23 PolarHBondContact O-N 2.73Å; L19-P298 HydrophobicContact CB-CB 3.77Å; L19-P298 HydrophobicContact CB-CG 4.17Å; L19-P298 HydrophobicContact CD1-CG 4.41Å; L19-P298 HydrophobicContact CD2-CB 4.11Å; L19-P298 HydrophobicContact CD2-CG 4.16Å; L19-P298 HydrophobicContact CG-CB 4.45Å; L19-P298 HydrophobicContact CG-CG 4.48Å; L19-F299 HydrophobicContact CD1-CD1 4.18Å; L19-F299 HydrophobicContact CD1-CE1 3.83Å; L19-F299 HydrophobicContact CD2-CB 4.45Å; L19-F299 HydrophobicContact CD2-CD1 3.54Å; L19-F299 HydrophobicContact CD2-CE1 4.07Å; L19-F299 HydrophobicContact CD2-CG 4.15Å |
| 20 | Q | 44.4 | Very low | 40.7 | Very low | 97 Ų | 97 | 84 Ų | 84 | 45% | 0.453 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.1 | -39.6 | 175.3 | -77.4 | -177.8 | -54.9 | 0 | 0 | 111.4 | T16 L17 L23 I24 | T16-Q20 HydrophobicContact CG2-CG 4.16Å; T16-Q20 WeakPolarHBondContact O-CA 3.15Å; T16-Q20 WeakPolarHBondContact O-CB 3.43Å; T16-Q20 WeakPolarHBondContact O-CG 3.12Å; T16-Q20 PolarHBondContact O-N 3.18Å; L17-Q20 PolarHBondContact O-N 2.89Å; Q20-L23 PolarHBondContact O-N 2.92Å; Q20-I24 HydrophobicContact CB-CD1 4.25Å; Q20-I24 WeakPolarHBondContact O-CA 3.15Å; Q20-I24 WeakPolarHBondContact O-CB 3.39Å; Q20-I24 VanDerWaalsContact O-CD1 3.3Å; Q20-I24 WeakPolarHBondContact O-CD1 3.16Å; Q20-I24 WeakPolarHBondContact O-CG1 3.4Å; Q20-I24 PolarHBondContact O-N 2.81Å |
| 21 | F | 44.6 | Very low | 40.4 | Very low | 112 Ų | 112 | 89.3 Ų | 89.3 | 49% | 0.491 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -70 | -41.5 | 173.3 | -88.2 | -80.6 | 0 | 0 | 0 | 111.9 | L17 M18 L23 I24 Y25 L126 | L17-F21 HydrophobicContact CB-CD2 4.41Å; L17-F21 HydrophobicContact CD2-CE2 4.29Å; L17-F21 VanDerWaalsContact O-CB 3.24Å; L17-F21 WeakPolarHBondContact O-CB 3.43Å; L17-F21 VanDerWaalsContact O-CD2 3.28Å; L17-F21 WeakPolarHBondContact O-CD2 3.28Å; L17-F21 PolarHBondContact O-N 3.16Å; M18-F21 PolarHBondContact O-N 2.79Å; F21-L23 PolarHBondContact O-N 2.9Å; F21-I24 PolarHBondContact O-N 2.79Å; F21-Y25 VanDerWaalsContact O-CB 3.31Å; F21-Y25 WeakPolarHBondContact O-CB 3.37Å; F21-Y25 PolarHBondContact O-N 3.2Å; F21-L126 HydrophobicContact CE2-CD2 4.35Å |
| 22 | L | 43.5 | Very low | 40 | Very low | 112 Ų | 112 | 93.7 Ų | 93.7 | 59% | 0.586 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -61.9 | -31 | 173.8 | -74 | 165.5 | 0 | 0 | 0 | 112.7 | M18 L19 R26 | M18-L22 HydrophobicContact CE-CD1 4.42Å; M18-L22 VanDerWaalsContact O-CB 3.29Å; M18-L22 WeakPolarHBondContact O-CB 3.29Å; M18-L22 WeakPolarHBondContact O-CD1 3.23Å; M18-L22 WeakPolarHBondContact O-CG 3.07Å; M18-L22 PolarHBondContact O-N 3.49Å; L19-L22 PolarHBondContact O-N 3.26Å; L22-R26 PolarHBondContact O-N 2.85Å |
| 23 | L | 40 | Very low | 39.9 | Very low | 92 Ų | 92 | 97.6 Ų | 97.6 | 48% | 0.482 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -90.4 | -26.8 | 177.3 | -66 | 169.1 | 0 | 0 | 0 | 113.1 | L19 Q20 F21 R26 R27 | L19-L23 WeakPolarHBondContact O-CB 3.42Å; L19-L23 WeakPolarHBondContact O-CD1 3.3Å; L19-L23 WeakPolarHBondContact O-CG 3.32Å; L19-L23 PolarHBondContact O-N 2.73Å; Q20-L23 PolarHBondContact O-N 2.92Å; F21-L23 PolarHBondContact O-N 2.9Å; L23-R26 CarbonylContact O-C 3.48Å; L23-R26 VanDerWaalsContact O-C 3.28Å; L23-R26 WeakPolarHBondContact O-CA 3.28Å; L23-R26 WeakPolarHBondContact O-CB 3.43Å; L23-R26 PolarHBondContact O-N 2.95Å; L23-R27 PolarHBondContact O-N 2.83Å; L23-R27 VanDerWaalsContact O-N 3.11Å |
| 24 | I | 40.2 | Very low | 39.6 | Very low | 96 Ų | 96 | 106.6 Ų | 106.6 | 49% | 0.492 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -75.2 | -37 | 172.4 | -73.8 | 163.6 | 0 | 0 | 0 | 110.2 | Q20 F21 R26 R27 | Q20-I24 HydrophobicContact CB-CD1 4.25Å; Q20-I24 WeakPolarHBondContact O-CA 3.15Å; Q20-I24 WeakPolarHBondContact O-CB 3.39Å; Q20-I24 VanDerWaalsContact O-CD1 3.3Å; Q20-I24 WeakPolarHBondContact O-CD1 3.16Å; Q20-I24 WeakPolarHBondContact O-CG1 3.4Å; Q20-I24 PolarHBondContact O-N 2.81Å; F21-I24 PolarHBondContact O-N 2.79Å; I24-R26 PolarHBondContact O-N 2.68Å; I24-R27 WeakPolarHBondContact O-CA 3.4Å; I24-R27 WeakPolarHBondContact O-CB 3.46Å; I24-R27 PolarHBondContact O-N 2.86Å |
| 25 | Y | 35.9 | Very low | 39.1 | Very low | 220 Ų | 220 | 112 Ų | 112 | 86% | 0.863 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -14.9 | 167.7 | -140.6 | -88.5 | 0 | 0 | 0 | 112.3 | F21 | F21-Y25 VanDerWaalsContact O-CB 3.31Å; F21-Y25 WeakPolarHBondContact O-CB 3.37Å; F21-Y25 PolarHBondContact O-N 3.2Å |
| 26 | R | 40 | Very low | 38.6 | Very low | 192 Ų | 192 | 114.5 Ų | 114.5 | 73% | 0.725 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | 3.6 | 166.9 | -124.1 | -179.7 | -169.7 | -173.1 | 3.9 | 113.5 | L22 L23 I24 N28 P29 | L22-R26 PolarHBondContact O-N 2.85Å; L23-R26 CarbonylContact O-C 3.48Å; L23-R26 VanDerWaalsContact O-C 3.28Å; L23-R26 WeakPolarHBondContact O-CA 3.28Å; L23-R26 WeakPolarHBondContact O-CB 3.43Å; L23-R26 PolarHBondContact O-N 2.95Å; I24-R26 PolarHBondContact O-N 2.68Å; R26-N28 VanDerWaalsContact C-N 3.27Å; R26-N28 PolarHBondContact O-N 3.49Å; R26-P29 WeakPolarHBondContact O-CD 3.31Å |
| 27 | R | 35.9 | Very low | 38.1 | Very low | 198 Ų | 198 | 119.1 Ų | 119.1 | 75% | 0.747 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -93.4 | 28.1 | -177 | -156.8 | -171 | 173.7 | 151.3 | 2 | 113.2 | L23 I24 | L23-R27 PolarHBondContact O-N 2.83Å; L23-R27 VanDerWaalsContact O-N 3.11Å; I24-R27 WeakPolarHBondContact O-CA 3.4Å; I24-R27 WeakPolarHBondContact O-CB 3.46Å; I24-R27 PolarHBondContact O-N 2.86Å |
| 28 | N | 35.8 | Very low | 38.4 | Very low | 155 Ų | 155 | 122.4 Ų | 122.4 | 83% | 0.829 | 61% | 0.609 | S | S | * | * | trans | -136.7 | 79.9 | 146 | -90.1 | -18.2 | 0 | 0 | 0 | 106.5 | R26 E30 | R26-N28 VanDerWaalsContact C-N 3.27Å; R26-N28 PolarHBondContact O-N 3.49Å; N28-E30 PolarHBondContact O-N 2.99Å | ||
| 29 | P | 35.2 | Very low | 38.6 | Very low | 106 Ų | 106 | 126 Ų | 126 | 69% | 0.688 | 63% | 0.633 | S | S | * | * | trans | -67.9 | 113.7 | 151.2 | 30.7 | -24 | 0 | 0 | 0 | 105.8 | R26 | R26-P29 WeakPolarHBondContact O-CD 3.31Š| ||
| 30 | E | 31.5 | Very low | 39.1 | Very low | 153 Ų | 153 | 130 Ų | 130 | 72% | 0.715 | 65% | 0.648 | S | S | * | * | trans | -53.9 | 146 | 156.7 | -69 | 177.4 | 122.2 | 0 | 0 | 107.9 | N28 L32 | N28-E30 PolarHBondContact O-N 2.99Å; E30-L32 PolarHBondContact O-N 2.57Å | ||
| 31 | P | 33.6 | Very low | 40 | Very low | 136 Ų | 136 | 130.3 Ų | 130.3 | 88% | 0.883 | 66% | 0.657 | S | S | * | * | trans | -71.9 | 66.2 | 174.1 | 31.5 | -35.2 | 0 | 0 | 0 | 110.3 | G33 | P31-G33 PolarHBondContact O-N 2.83Š| ||
| 32 | L | 32.1 | Very low | 41.2 | Very low | 119 Ų | 119 | 129.4 Ų | 129.4 | 62% | 0.623 | 66% | 0.66 | S | S | * | * | trans | -62.1 | 102.7 | 163.4 | -72.7 | 172 | 0 | 0 | 0 | 106.8 | E30 R34 | E30-L32 PolarHBondContact O-N 2.57Å; L32-R34 VanDerWaalsContact C-N 3.26Å; L32-R34 PolarHBondContact O-N 2.64Å | ||
| 33 | G | 36.2 | Very low | 42.6 | Very low | 85 Ų | 85 | 124.5 Ų | 124.5 | 88% | 0.876 | 64% | 0.635 | S | S | * | * | trans | -58.9 | 87.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | P31 | P31-G33 PolarHBondContact O-N 2.83Š| ||
| 34 | R | 33 | Very low | 44.4 | Very low | 199 Ų | 199 | 125 Ų | 125 | 75% | 0.751 | 64% | 0.638 | S | S | * | * | trans | -88.1 | 112.3 | 176 | -73.7 | 178.5 | 176 | -157.4 | -4.8 | 107.7 | L32 V36 | L32-R34 VanDerWaalsContact C-N 3.26Å; L32-R34 PolarHBondContact O-N 2.64Å; R34-V36 WeakPolarHBondContact O-CG2 3.24Å; R34-V36 PolarHBondContact O-N 3.14Å | ||
| 35 | T | 32.1 | Very low | 46.1 | Very low | 120 Ų | 120 | 123.8 Ų | 123.8 | 74% | 0.736 | 64% | 0.639 | S | S | * | * | trans | -50.7 | 108.7 | 163 | 50.3 | 0 | 0 | 0 | 0 | 108.8 | Q37 | T35-Q37 PolarHBondContact O-N 3.19Š| ||
| 36 | V | 35.7 | Very low | 47.9 | Very low | 84 Ų | 84 | 116.2 Ų | 116.2 | 51% | 0.509 | 62% | 0.621 | S | S | . | * | trans | -76.9 | 93.2 | -171.4 | -175 | 0 | 0 | 0 | 0 | 109.4 | R34 Y38 | R34-V36 WeakPolarHBondContact O-CG2 3.24Å; R34-V36 PolarHBondContact O-N 3.14Å; V36-Y38 HydrophobicContact CB-CE2 4.4Å; V36-Y38 HydrophobicContact CG1-CD1 4.11Å; V36-Y38 HydrophobicContact CG1-CD2 4.06Å; V36-Y38 HydrophobicContact CG1-CE1 3.76Å; V36-Y38 HydrophobicContact CG1-CE2 3.7Å; V36-Y38 HydrophobicContact CG1-CG 4.26Å | ||
| 37 | Q | 34.3 | Very low | 49.7 | Very low | 121 Ų | 121 | 111.4 Ų | 111.4 | 57% | 0.565 | 61% | 0.609 | S | S | * | * | trans | -82.9 | 122.7 | 156.2 | -66.8 | -174.9 | 22.7 | 0 | 0 | 107.7 | T35 V39 | T35-Q37 PolarHBondContact O-N 3.19Å; Q37-V39 HydrophobicContact CB-CG2 4.04Å; Q37-V39 PolarHBondContact O-N 3.37Å | ||
| 38 | Y | 47.6 | Very low | 51.6 | Low | 97 Ų | 97 | 105 Ų | 105 | 38% | 0.38 | 59% | 0.587 | S | S | . | * | trans | -73.9 | 67.2 | 176.8 | -69.3 | -82.5 | 0 | 0 | 0 | 110.8 | V36 K40 Q800 | V36-Y38 HydrophobicContact CB-CE2 4.4Å; V36-Y38 HydrophobicContact CG1-CD1 4.11Å; V36-Y38 HydrophobicContact CG1-CD2 4.06Å; V36-Y38 HydrophobicContact CG1-CE1 3.76Å; V36-Y38 HydrophobicContact CG1-CE2 3.7Å; V36-Y38 HydrophobicContact CG1-CG 4.26Å; Y38-K40 PolarHBondContact O-N 3.44Å; Y38-Q800 HydrophobicContact CD1-CB 4.01Å; Y38-Q800 HydrophobicContact CD1-CG 4.43Å; Y38-Q800 HydrophobicContact CD2-CB 3.91Å; Y38-Q800 HydrophobicContact CE1-CB 3.77Å; Y38-Q800 WeakPolarHBondContact CE1-O 3.45Å; Y38-Q800 HydrophobicContact CE2-CB 3.67Å; Y38-Q800 HydrophobicContact CG-CB 4.07Å; Y38-Q800 VanDerWaalsContact CZ-O 3.28Å; Y38-Q800 PolarHBondContact OH-N 3.27Å; Y38-Q800 PolarHBondContact OH-O 2.93Å | ||
| 39 | V | 51.1 | Low | 53.4 | Low | 113 Ų | 113 | 102.6 Ų | 102.6 | 69% | 0.685 | 57% | 0.574 | S | S | * | * | trans | -69.1 | 111.6 | -177.8 | 179.8 | 0 | 0 | 0 | 0 | 109.7 | Q37 V41 | Q37-V39 HydrophobicContact CB-CG2 4.04Å; Q37-V39 PolarHBondContact O-N 3.37Å; V39-V41 PolarHBondContact O-N 3.36Å | ||
| 40 | K | 58 | Low | 55.4 | Low | 122 Ų | 122 | 101.5 Ų | 101.5 | 53% | 0.53 | 56% | 0.557 | S | S | . | * | trans | -57.7 | 130.8 | 172.1 | -152.9 | 175.9 | -166.2 | -165.4 | 0 | 109.5 | Y38 V42 D188 | Y38-K40 PolarHBondContact O-N 3.44Å; K40-V42 PolarHBondContact O-N 3.26Å; K40-D188 WeakPolarHBondContact CD-OD1 3.2Å; K40-D188 VanDerWaalsContact CE-CG 3.42Å; K40-D188 VanDerWaalsContact CE-OD1 3.22Å; K40-D188 WeakPolarHBondContact CE-OD1 3.27Å; K40-D188 WeakPolarHBondContact CE-OD2 3.21Å; K40-D188 IonicContact NZ-OD1 2.68Å; K40-D188 PolarHBondContact NZ-OD1 2.85Å; K40-D188 IonicContact NZ-OD2 3.75Å; K40-D188 PolarHBondContact NZ-OD2 3.09Å | ||
| 41 | V | 62.9 | Low | 57.6 | Low | 104 Ų | 104 | 95.3 Ų | 95.3 | 63% | 0.63 | 53% | 0.527 | S | S | * | . | trans | -76.6 | 97.8 | -175.8 | -177.9 | 0 | 0 | 0 | 0 | 109.6 | V39 M190 | V39-V41 PolarHBondContact O-N 3.36Å; V41-M190 HydrophobicContact CB-CE 4.18Å; V41-M190 HydrophobicContact CG1-CE 3.69Å; V41-M190 HydrophobicContact CG1-SD 4.31Å; V41-M190 WeakPolarHBondContact O-CG 3.36Å | ||
| 42 | V | 71.2 | Confident | 59.2 | Low | 93 Ų | 93 | 93 Ų | 93 | 56% | 0.564 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -88.4 | 133.8 | 175 | -178.3 | 0 | 0 | 0 | 0 | 109.6 | K40 K48 | K40-V42 PolarHBondContact O-N 3.26Å; V42-K48 VanDerWaalsContact CG1-NZ 3.35Å |
| 43 | P | 72.6 | Confident | 60.2 | Low | 10 Ų | 10 | 90.8 Ų | 90.8 | 7% | 0.065 | 50% | 0.499 | C | S | . | . | P | Polyproline II helix | trans | -74.1 | 138.1 | 174.7 | 11.9 | -4.1 | 0 | 0 | 0 | 111 | K48 D188 G189 M190 | P43-K48 HydrophobicContact CB-CG 4.18Å; P43-K48 HydrophobicContact CG-CG 4.25Å; P43-K48 WeakPolarHBondContact O-CD 3.32Å; P43-K48 WeakPolarHBondContact O-CE 3.34Å; P43-K48 PolarHBondContact O-NZ 3.46Å; P43-D188 WeakPolarHBondContact CD-O 3.35Å; P43-G189 WeakPolarHBondContact CG-O 3.03Å; P43-M190 HydrophobicContact CB-SD 4.01Å; P43-M190 HydrophobicContact CG-CG 3.98Å; P43-M190 HydrophobicContact CG-SD 3.58Å; P43-M190 VanDerWaalsContact CG-SD 3.58Å |
| 44 | D | 78 | Confident | 60.4 | Low | 101 Ų | 101 | 91.4 Ų | 91.4 | 54% | 0.54 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 151.2 | 173.7 | -179.5 | 27.3 | 0 | 0 | 0 | 111.7 | A46 L47 K48 | D44-A46 VanDerWaalsContact C-N 3.33Å; D44-A46 PolarHBondContact O-N 3.09Å; D44-L47 PolarHBondContact O-N 2.91Å; D44-K48 PolarHBondContact O-N 3.19Å |
| 45 | S | 74.6 | Confident | 60.4 | Low | 72 Ų | 72 | 90 Ų | 90 | 50% | 0.503 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -36 | -57.1 | 171.6 | 55.8 | 0 | 0 | 0 | 0 | 113.6 | L47 K48 D49 | S45-L47 VanDerWaalsContact C-N 3.26Å; S45-L47 PolarHBondContact O-N 2.92Å; S45-K48 WeakPolarHBondContact O-CB 3.31Å; S45-K48 PolarHBondContact O-N 2.77Å; S45-K48 VanDerWaalsContact O-N 3.1Å; S45-D49 PolarHBondContact O-N 3.28Å |
| 46 | A | 75.8 | Confident | 60.1 | Low | 61 Ų | 61 | 89 Ų | 89 | 50% | 0.504 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.5 | -29.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114 | D44 Y50 | D44-A46 VanDerWaalsContact C-N 3.33Å; D44-A46 PolarHBondContact O-N 3.09Å; A46-Y50 WeakPolarHBondContact O-CB 3.25Å; A46-Y50 PolarHBondContact O-N 3.04Å; A46-Y50 VanDerWaalsContact O-N 3.14Å |
| 47 | L | 77.6 | Confident | 59.6 | Low | 90 Ų | 90 | 92.9 Ų | 92.9 | 47% | 0.471 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -79.7 | -38.6 | 174.9 | -69.6 | 173.7 | 0 | 0 | 0 | 111.8 | D44 S45 D49 Y50 F51 | D44-L47 PolarHBondContact O-N 2.91Å; S45-L47 VanDerWaalsContact C-N 3.26Å; S45-L47 PolarHBondContact O-N 2.92Å; L47-D49 VanDerWaalsContact C-N 3.33Å; L47-D49 PolarHBondContact O-N 3Å; L47-Y50 PolarHBondContact O-N 2.88Å; L47-F51 HydrophobicContact CB-CE2 4.37Å; L47-F51 WeakPolarHBondContact O-CD2 3.36Å; L47-F51 VanDerWaalsContact O-CG 3.27Å; L47-F51 WeakPolarHBondContact O-CG 3.48Å; L47-F51 PolarHBondContact O-N 2.82Å |
| 48 | K | 75.1 | Confident | 59.6 | Low | 65 Ų | 65 | 93 Ų | 93 | 28% | 0.283 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59 | -45.2 | 172.5 | -75 | 168.5 | 169.8 | 153.7 | 0 | 110.9 | V42 P43 D44 S45 F51 N52 | V42-K48 VanDerWaalsContact CG1-NZ 3.35Å; P43-K48 HydrophobicContact CB-CG 4.18Å; P43-K48 HydrophobicContact CG-CG 4.25Å; P43-K48 WeakPolarHBondContact O-CD 3.32Å; P43-K48 WeakPolarHBondContact O-CE 3.34Å; P43-K48 PolarHBondContact O-NZ 3.46Å; D44-K48 PolarHBondContact O-N 3.19Å; S45-K48 WeakPolarHBondContact O-CB 3.31Å; S45-K48 PolarHBondContact O-N 2.77Å; S45-K48 VanDerWaalsContact O-N 3.1Å; K48-F51 PolarHBondContact O-N 2.98Å; K48-N52 VanDerWaalsContact O-CB 3.24Å; K48-N52 WeakPolarHBondContact O-CB 3.24Å; K48-N52 PolarHBondContact O-N 3.21Å; K48-N52 PolarHBondContact O-ND2 3.14Å; K48-N52 VanDerWaalsContact O-ND2 3.16Å |
| 49 | D | 73.1 | Confident | 58.6 | Low | 103 Ų | 103 | 96.4 Ų | 96.4 | 55% | 0.551 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.5 | -48 | 174.3 | -68.9 | -25.3 | 0 | 0 | 0 | 111.5 | S45 L47 F51 N52 V53 | S45-D49 PolarHBondContact O-N 3.28Å; L47-D49 VanDerWaalsContact C-N 3.33Å; L47-D49 PolarHBondContact O-N 3Å; D49-F51 VanDerWaalsContact C-N 3.25Å; D49-F51 PolarHBondContact O-N 3.49Å; D49-N52 PolarHBondContact O-N 2.91Å; D49-V53 WeakPolarHBondContact O-CG2 3.29Å; D49-V53 PolarHBondContact O-N 2.97Å; D49-V53 VanDerWaalsContact O-N 3.16Å |
| 50 | Y | 77.5 | Confident | 57.7 | Low | 83 Ų | 83 | 99.8 Ų | 99.8 | 33% | 0.325 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -55.5 | -38.1 | 177.5 | -178.6 | -102.9 | 0 | 0 | 0 | 112.7 | A46 L47 E110 L179 K181 | A46-Y50 WeakPolarHBondContact O-CB 3.25Å; A46-Y50 PolarHBondContact O-N 3.04Å; A46-Y50 VanDerWaalsContact O-N 3.14Å; L47-Y50 PolarHBondContact O-N 2.88Å; Y50-E110 VanDerWaalsContact CE2-OE1 3.23Å; Y50-E110 WeakPolarHBondContact CE2-OE1 3.45Å; Y50-E110 VanDerWaalsContact CZ-OE1 3.29Å; Y50-E110 PolarHBondContact OH-OE1 3.03Å; Y50-L179 HydrophobicContact CD1-CD2 3.97Å; Y50-L179 HydrophobicContact CE1-CB 4.39Å; Y50-L179 HydrophobicContact CE1-CD2 3.52Å; Y50-K181 WeakPolarHBondContact O-CE 3.28Å; Y50-K181 PolarHBondContact O-NZ 3.27Å |
| 51 | F | 78.5 | Confident | 56.3 | Low | 23 Ų | 23 | 103.1 Ų | 103.1 | 10% | 0.101 | 57% | 0.57 | C | S | . | * | H | α-helix | trans | -71.5 | -46.7 | 171.8 | -56.1 | -35.7 | 0 | 0 | 0 | 112.2 | L47 K48 D49 L179 K181 V183 L185 P191 L194 | L47-F51 HydrophobicContact CB-CE2 4.37Å; L47-F51 WeakPolarHBondContact O-CD2 3.36Å; L47-F51 VanDerWaalsContact O-CG 3.27Å; L47-F51 WeakPolarHBondContact O-CG 3.48Å; L47-F51 PolarHBondContact O-N 2.82Å; K48-F51 PolarHBondContact O-N 2.98Å; D49-F51 VanDerWaalsContact C-N 3.25Å; D49-F51 PolarHBondContact O-N 3.49Å; F51-L179 HydrophobicContact CD1-CD2 4.07Å; F51-K181 WeakPolarHBondContact O-CE 3.23Å; F51-K181 PolarHBondContact O-NZ 2.71Å; F51-V183 HydrophobicContact CB-CB 4.42Å; F51-V183 HydrophobicContact CB-CG2 4.3Å; F51-V183 HydrophobicContact CD1-CG2 4.16Å; F51-L185 HydrophobicContact CB-CD1 4.41Å; F51-L185 HydrophobicContact CB-CD2 4.38Å; F51-L185 HydrophobicContact CD2-CD2 3.84Å; F51-L185 HydrophobicContact CE2-CD2 4.45Å; F51-L185 HydrophobicContact CG-CD2 4.25Å; F51-P191 HydrophobicContact CE2-CG 4.26Å; F51-P191 HydrophobicContact CZ-CG 4.05Å; F51-L194 HydrophobicContact CE1-CD2 4.08Å |
| 52 | N | 65.8 | Low | 54.7 | Low | 88 Ų | 88 | 105.9 Ų | 105.9 | 47% | 0.471 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -81.3 | -19.7 | -163.6 | -71.7 | -25.4 | 0 | 0 | 0 | 117.2 | K48 D49 S54 | K48-N52 VanDerWaalsContact O-CB 3.24Å; K48-N52 WeakPolarHBondContact O-CB 3.24Å; K48-N52 PolarHBondContact O-N 3.21Å; K48-N52 PolarHBondContact O-ND2 3.14Å; K48-N52 VanDerWaalsContact O-ND2 3.16Å; D49-N52 PolarHBondContact O-N 2.91Å; N52-S54 PolarHBondContact O-N 3.16Å; N52-S54 PolarHBondContact O-OG 2.9Å |
| 53 | V | 54.6 | Low | 52.6 | Low | 73 Ų | 73 | 107.4 Ų | 107.4 | 44% | 0.442 | 60% | 0.596 | S | S | . | * | trans | -54.3 | 112.5 | 179.2 | -176.4 | 0 | 0 | 0 | 0 | 110.9 | D49 A106 K181 | D49-V53 WeakPolarHBondContact O-CG2 3.29Å; D49-V53 PolarHBondContact O-N 2.97Å; D49-V53 VanDerWaalsContact O-N 3.16Å; V53-A106 HydrophobicContact CG1-CB 4.13Å; V53-K181 VanDerWaalsContact O-CD 3.25Å; V53-K181 WeakPolarHBondContact O-CD 3.42Å; V53-K181 PolarHBondContact O-NZ 3.44Å | ||
| 54 | S | 39.1 | Very low | 50.3 | Low | 98 Ų | 98 | 110.2 Ų | 110.2 | 69% | 0.685 | 63% | 0.626 | S | S | * | * | trans | -101.4 | 163 | -173.6 | -67.5 | 0 | 0 | 0 | 0 | 112.1 | N52 A56 | N52-S54 PolarHBondContact O-N 3.16Å; N52-S54 PolarHBondContact O-OG 2.9Å; S54-A56 PolarHBondContact O-N 3.33Å | ||
| 55 | H | 33.5 | Very low | 47.8 | Very low | 169 Ų | 169 | 112.7 Ų | 112.7 | 78% | 0.782 | 65% | 0.645 | S | S | * | * | trans | -64 | 119.7 | 179.8 | -92.8 | -113.9 | 0 | 0 | 0 | 112.1 | ||||
| 56 | A | 25.5 | Very low | 45.4 | Very low | 99 Ų | 99 | 113.9 Ų | 113.9 | 82% | 0.818 | 66% | 0.66 | S | S | * | * | trans | -103 | 96.8 | 157.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | S54 | S54-A56 PolarHBondContact O-N 3.33Š| ||
| 57 | E | 26.2 | Very low | 43 | Very low | 166 Ų | 166 | 115.9 Ų | 115.9 | 78% | 0.776 | 68% | 0.676 | S | S | * | * | trans | -75.7 | 133.8 | 169.1 | -67.8 | -160.9 | 133.7 | 0 | 0 | 110 | N59 | E57-N59 PolarHBondContact O-N 2.97Å; E57-N59 VanDerWaalsContact O-N 3.16Å | ||
| 58 | P | 33.2 | Very low | 40.5 | Very low | 123 Ų | 123 | 116.2 Ų | 116.2 | 80% | 0.799 | 69% | 0.692 | S | S | * | * | trans | -74.4 | 108.5 | 179.1 | 29.4 | -33.2 | 0 | 0 | 0 | 110.3 | Q60 | P58-Q60 PolarHBondContact O-N 3.1Š| ||
| 59 | N | 26 | Very low | 38.2 | Very low | 168 Ų | 168 | 119 Ų | 119 | 90% | 0.898 | 72% | 0.719 | S | S | * | * | trans | -64.2 | 114.7 | 179.7 | -138.1 | 3.1 | 0 | 0 | 0 | 110.5 | E57 | E57-N59 PolarHBondContact O-N 2.97Å; E57-N59 VanDerWaalsContact O-N 3.16Å | ||
| 60 | Q | 34 | Very low | 35.8 | Very low | 185 Ų | 185 | 123.5 Ų | 123.5 | 86% | 0.864 | 73% | 0.734 | S | S | * | * | trans | -88.6 | 117.5 | 171.2 | -76.7 | -171.5 | -14.7 | 0 | 0 | 110.5 | P58 | P58-Q60 PolarHBondContact O-N 3.1Š| ||
| 61 | Q | 28.6 | Very low | 34 | Very low | 191 Ų | 191 | 124.7 Ų | 124.7 | 89% | 0.893 | 75% | 0.752 | S | S | * | * | trans | -152.2 | 148.3 | 152.1 | -121.9 | 171.6 | 13.9 | 0 | 0 | 112 | ||||
| 62 | D | 28.7 | Very low | 31.5 | Very low | 163 Ų | 163 | 131.2 Ų | 131.2 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | trans | -76.9 | 145.9 | -162.1 | -59.2 | -87 | 0 | 0 | 0 | 115.5 | ||||
| 63 | S | 26.3 | Very low | 29.5 | Very low | 125 Ų | 125 | 135 Ų | 135 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | -144.5 | 138.7 | 124.9 | 59.8 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 64 | G | 24.2 | Very low | 28.1 | Very low | 68 Ų | 68 | 135.6 Ų | 135.6 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | trans | -146.7 | 170.4 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 65 | T | 25.8 | Very low | 27.3 | Very low | 153 Ų | 153 | 138.2 Ų | 138.2 | 94% | 0.939 | 82% | 0.815 | S | S | * | * | trans | -154.8 | 159.9 | 163.9 | -1.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 66 | A | 23.8 | Very low | 26.9 | Very low | 98 Ų | 98 | 137.5 Ų | 137.5 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | trans | -69.8 | 152.8 | -165.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 67 | A | 25.2 | Very low | 26.8 | Very low | 103 Ų | 103 | 137.2 Ų | 137.2 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | -165.5 | 160.6 | 114.5 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 68 | A | 25.5 | Very low | 26.8 | Very low | 96 Ų | 96 | 139.6 Ų | 139.6 | 79% | 0.793 | 81% | 0.81 | S | S | * | * | trans | -85.5 | 147.4 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 69 | S | 26.4 | Very low | 26.4 | Very low | 123 Ų | 123 | 141.5 Ų | 141.5 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | -179.9 | 163.7 | 110.5 | 45.4 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 70 | K | 23.4 | Very low | 26.4 | Very low | 199 Ų | 199 | 140.5 Ų | 140.5 | 87% | 0.865 | 80% | 0.798 | S | S | * | * | trans | -132.5 | 173.7 | 172.7 | -84.8 | -172.3 | 176.6 | -177.7 | 0 | 106.7 | ||||
| 71 | P | 40.4 | Very low | 26 | Very low | 107 Ų | 107 | 139.6 Ų | 139.6 | 70% | 0.695 | 79% | 0.794 | S | S | * | * | cis | -132.9 | -174.9 | -46.7 | 39.9 | -24.5 | 0 | 0 | 0 | 110.7 | ||||
| 72 | Q | 24.6 | Very low | 25.9 | Very low | 161 Ų | 161 | 135.6 Ų | 135.6 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | trans | 161.1 | 123.4 | 139.7 | -91.3 | -174.6 | -79.2 | 0 | 0 | 108.5 | ||||
| 73 | E | 23.6 | Very low | 25.8 | Very low | 167 Ų | 167 | 132.4 Ų | 132.4 | 78% | 0.78 | 79% | 0.79 | S | S | * | * | 89.9 | 155.7 | 73.5 | -81.1 | -165.7 | 130.6 | 0 | 0 | 114.4 | |||||
| 74 | A | 25 | Very low | 25.9 | Very low | 85 Ų | 85 | 133.2 Ų | 133.2 | 70% | 0.702 | 79% | 0.789 | S | S | * | * | trans | 74 | 87.6 | 156.3 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 75 | I | 24 | Very low | 26 | Very low | 153 Ų | 153 | 136.3 Ų | 136.3 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | 64.7 | 117.2 | 97.9 | -70.4 | 171.7 | 0 | 0 | 0 | 119.8 | |||||
| 76 | L | 24.1 | Very low | 26 | Very low | 155 Ų | 155 | 133 Ų | 133 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | trans | 81.9 | 136.6 | 141.6 | -75.1 | 173.5 | 0 | 0 | 0 | 124.2 | ||||
| 77 | S | 24.5 | Very low | 26.1 | Very low | 93 Ų | 93 | 132 Ų | 132 | 65% | 0.65 | 79% | 0.79 | S | S | * | * | 84.9 | 106.6 | 128.7 | -77 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 78 | R | 24.8 | Very low | 26.2 | Very low | 216 Ų | 216 | 133 Ų | 133 | 82% | 0.815 | 79% | 0.79 | S | S | * | * | 78.2 | 152.1 | 102.7 | -156.2 | -168.8 | 178.1 | -179.7 | -0.5 | 118.8 | |||||
| 79 | Q | 25.7 | Very low | 26.7 | Very low | 163 Ų | 163 | 134.6 Ų | 134.6 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | trans | 77.3 | 149.3 | 171.6 | -53.1 | -169.8 | -93.4 | 0 | 0 | 114.7 | ||||
| 80 | Q | 25.6 | Very low | 26.7 | Very low | 146 Ų | 146 | 138 Ų | 138 | 68% | 0.682 | 79% | 0.792 | S | S | * | * | cis | 154.4 | 122.3 | -30.4 | 171 | 171.5 | 9.6 | 0 | 0 | 106.2 | ||||
| 81 | E | 26.3 | Very low | 27 | Very low | 166 Ų | 166 | 136.1 Ų | 136.1 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | trans | 32.2 | 110.8 | 157 | -59.9 | 169.3 | 106.8 | 0 | 0 | 119.9 | ||||
| 82 | A | 26.2 | Very low | 26.4 | Very low | 107 Ų | 107 | 138.3 Ų | 138.3 | 88% | 0.884 | 79% | 0.788 | S | S | * | * | -147.5 | 139.5 | 127.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 83 | A | 26.5 | Very low | 26.5 | Very low | 96 Ų | 96 | 139 Ų | 139 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | trans | -113.2 | 153.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 84 | V | 28.6 | Very low | 26.6 | Very low | 143 Ų | 143 | 139.7 Ų | 139.7 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | trans | -169 | 136.9 | 138.7 | 137.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 85 | T | 25.9 | Very low | 26.9 | Very low | 133 Ų | 133 | 141 Ų | 141 | 82% | 0.816 | 80% | 0.796 | S | S | * | * | trans | -42.2 | 153.7 | -176.9 | 54.6 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 86 | G | 25.3 | Very low | 27.2 | Very low | 84 Ų | 84 | 139.4 Ų | 139.4 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | trans | 119.8 | 132.5 | 141.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 87 | G | 26.6 | Very low | 27.7 | Very low | 76 Ų | 76 | 137.6 Ų | 137.6 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | cis | -173.5 | 145.1 | -7.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 88 | S | 27 | Very low | 28.1 | Very low | 123 Ų | 123 | 138.9 Ų | 138.9 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -91.7 | 142.6 | -168.1 | -51.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 89 | P | 35.5 | Very low | 28.2 | Very low | 130 Ų | 130 | 134.1 Ų | 134.1 | 84% | 0.844 | 80% | 0.798 | S | S | * | * | trans | -78.3 | 175.9 | 166.3 | 34.9 | -35.4 | 0 | 0 | 0 | 112.1 | ||||
| 90 | K | 27.7 | Very low | 28.3 | Very low | 194 Ų | 194 | 135.2 Ų | 135.2 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | trans | -127.7 | 155 | -176.4 | -141.5 | 178.1 | -173.9 | -177.8 | 0 | 110.6 | ||||
| 91 | Q | 29.3 | Very low | 28.5 | Very low | 160 Ų | 160 | 133.6 Ų | 133.6 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | trans | 76 | 114.9 | 175.9 | -55 | -166.3 | -92.4 | 0 | 0 | 114.1 | ||||
| 92 | Q | 28.7 | Very low | 28.6 | Very low | 154 Ų | 154 | 134.5 Ų | 134.5 | 72% | 0.72 | 81% | 0.812 | S | S | * | * | 85.2 | 133.8 | 66.3 | -79.7 | 171 | -33.7 | 0 | 0 | 112.1 | |||||
| 93 | Q | 25.8 | Very low | 29.3 | Very low | 174 Ų | 174 | 137.9 Ų | 137.9 | 81% | 0.813 | 81% | 0.814 | S | S | * | * | cis | -115.5 | -171.2 | -7 | -63.7 | 114.3 | -8.1 | 0 | 0 | 110.4 | ||||
| 94 | Q | 26.1 | Very low | 29.8 | Very low | 182 Ų | 182 | 139 Ų | 139 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | cis | -150.1 | 175.8 | 17.6 | -126.6 | 168.2 | -16.9 | 0 | 0 | 108.9 | ||||
| 95 | P | 30.7 | Very low | 30.3 | Very low | 114 Ų | 114 | 136.4 Ų | 136.4 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 154.1 | -162.9 | 36.1 | -35.6 | 0 | 0 | 0 | 115.8 | ||
| 96 | P | 31.4 | Very low | 30.9 | Very low | 119 Ų | 119 | 134.2 Ų | 134.2 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 166.4 | 166.8 | 36.5 | -34.4 | 0 | 0 | 0 | 113.2 | ||
| 97 | P | 32.7 | Very low | 32.3 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 170.7 | -178.2 | -12 | 30.1 | 0 | 0 | 0 | 114.2 | ||
| 98 | P | 34 | Very low | 33.9 | Very low | 120 Ų | 120 | 136.9 Ų | 136.9 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 145 | -177 | 29.6 | -35.4 | 0 | 0 | 0 | 113.2 | ||
| 99 | S | 26.9 | Very low | 36.4 | Very low | 116 Ų | 116 | 135 Ų | 135 | 81% | 0.811 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 125.2 | 173.7 | 52.2 | 0 | 0 | 0 | 0 | 111.5 | S101 | S99-S101 PolarHBondContact O-N 3.23Š|
| 100 | H | 28.6 | Very low | 38.8 | Very low | 186 Ų | 186 | 132.9 Ų | 132.9 | 86% | 0.861 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 128.2 | 164.3 | -75.2 | -99.8 | 0 | 0 | 0 | 109.9 | ||
| 101 | S | 27.9 | Very low | 41.7 | Very low | 113 Ų | 113 | 128.1 Ų | 128.1 | 79% | 0.79 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 123.2 | 173.9 | 51.9 | 0 | 0 | 0 | 0 | 110.7 | S99 | S99-S101 PolarHBondContact O-N 3.23Š|
| 102 | E | 29.8 | Very low | 44.3 | Very low | 185 Ų | 185 | 121 Ų | 121 | 86% | 0.864 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 132.7 | -176.2 | -64.7 | 179.8 | 118.5 | 0 | 0 | 113 | T104 | E102-T104 PolarHBondContact O-N 2.71Š|
| 103 | L | 39.5 | Very low | 47.1 | Very low | 177 Ų | 177 | 118.5 Ų | 118.5 | 93% | 0.927 | 67% | 0.673 | S | S | * | * | trans | -84.9 | 77.4 | -179.8 | -84 | 158.8 | 0 | 0 | 0 | 112 | ||||
| 104 | T | 38 | Very low | 50 | Low | 119 Ų | 119 | 116.9 Ų | 116.9 | 73% | 0.73 | 66% | 0.663 | S | S | * | * | trans | -153.5 | 104.6 | 168.5 | 41 | 0 | 0 | 0 | 0 | 113.5 | E102 | E102-T104 PolarHBondContact O-N 2.71Š| ||
| 105 | D | 38.6 | Very low | 52.7 | Low | 90 Ų | 90 | 111 Ų | 111 | 48% | 0.481 | 64% | 0.637 | S | S | . | * | trans | -163.1 | 90.5 | 136.3 | -136.2 | -48.9 | 0 | 0 | 0 | 114.3 | G107 R108 | D105-G107 PolarHBondContact O-N 2.85Å; D105-R108 HydrophobicContact CB-CB 4.1Å; D105-R108 HydrophobicContact CB-CG 4.44Å; D105-R108 VanDerWaalsContact CG-CB 3.42Å; D105-R108 VanDerWaalsContact CG-CG 3.48Å; D105-R108 WeakPolarHBondContact OD1-CA 3.2Å; D105-R108 VanDerWaalsContact OD1-CB 3.28Å; D105-R108 WeakPolarHBondContact OD1-CB 3.41Å; D105-R108 PolarHBondContact OD1-N 3.38Å; D105-R108 WeakPolarHBondContact OD2-CD 3.41Å; D105-R108 WeakPolarHBondContact OD2-CG 3.46Å; D105-R108 IonicContact OD2-CZ 3.19Å; D105-R108 IonicContact OD2-NE 2.66Å; D105-R108 PolarHBondContact OD2-NE 2.81Å; D105-R108 IonicContact OD2-NH1 2.65Å; D105-R108 PolarHBondContact OD2-NH1 2.81Å | ||
| 106 | A | 38.9 | Very low | 55.3 | Low | 87 Ų | 87 | 106.2 Ų | 106.2 | 72% | 0.719 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -84.1 | 89.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111 | V53 | V53-A106 HydrophobicContact CG1-CB 4.13Š|
| 107 | G | 54.1 | Low | 57.8 | Low | 49 Ų | 49 | 103.3 Ų | 103.3 | 51% | 0.505 | 59% | 0.592 | S | S | . | * | S | Bend | trans | 96.9 | 28.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 116 | D105 | D105-G107 PolarHBondContact O-N 2.85Š|
| 108 | R | 61 | Low | 60.1 | Low | 167 Ų | 167 | 101 Ų | 101 | 63% | 0.63 | 57% | 0.573 | S | S | * | * | trans | -45 | 139.8 | 173.6 | -149.4 | 177 | -170 | 124.2 | -6.7 | 112.5 | D105 | D105-R108 HydrophobicContact CB-CB 4.1Å; D105-R108 HydrophobicContact CB-CG 4.44Å; D105-R108 VanDerWaalsContact CG-CB 3.42Å; D105-R108 VanDerWaalsContact CG-CG 3.48Å; D105-R108 WeakPolarHBondContact OD1-CA 3.2Å; D105-R108 VanDerWaalsContact OD1-CB 3.28Å; D105-R108 WeakPolarHBondContact OD1-CB 3.41Å; D105-R108 PolarHBondContact OD1-N 3.38Å; D105-R108 WeakPolarHBondContact OD2-CD 3.41Å; D105-R108 WeakPolarHBondContact OD2-CG 3.46Å; D105-R108 IonicContact OD2-CZ 3.19Å; D105-R108 IonicContact OD2-NE 2.66Å; D105-R108 PolarHBondContact OD2-NE 2.81Å; D105-R108 IonicContact OD2-NH1 2.65Å; D105-R108 PolarHBondContact OD2-NH1 2.81Å | ||
| 109 | T | 78.9 | Confident | 62.1 | Low | 84 Ų | 84 | 96.3 Ų | 96.3 | 52% | 0.515 | 54% | 0.54 | S | S | . | . | trans | -78.6 | 122 | 161.8 | 38.3 | 0 | 0 | 0 | 0 | 109.6 | K178 | T109-K178 HydrophobicContact CG2-CB 4.33Š| ||
| 110 | E | 86.4 | Confident | 64.8 | Low | 85 Ų | 85 | 95.4 Ų | 95.4 | 40% | 0.397 | 53% | 0.525 | S | S | . | . | B | Isolated β-bridge | trans | -83.6 | 140.3 | -178.8 | -71 | 169.6 | -145.4 | 0 | 0 | 111.2 | Y50 S176 A177 | Y50-E110 VanDerWaalsContact CE2-OE1 3.23Å; Y50-E110 WeakPolarHBondContact CE2-OE1 3.45Å; Y50-E110 VanDerWaalsContact CZ-OE1 3.29Å; Y50-E110 PolarHBondContact OH-OE1 3.03Å; E110-S176 CarbonylContact O-C 3.46Å; E110-S176 VanDerWaalsContact O-CA 3.29Å; E110-S176 WeakPolarHBondContact O-CA 3.4Å; E110-A177 PolarHBondContact N-O 3.11Å; E110-A177 PolarHBondContact O-N 2.85Å |
| 111 | T | 87.7 | Confident | 67.3 | Low | 94 Ų | 94 | 93 Ų | 93 | 58% | 0.577 | 51% | 0.512 | S | S | * | . | trans | -90.5 | 114 | 177.6 | 60.9 | 0 | 0 | 0 | 0 | 111 | N113 | T111-N113 PolarHBondContact O-N 3.45Š| ||
| 112 | C | 84.8 | Confident | 69.7 | Low | 11 Ų | 11 | 89 Ų | 89 | 7% | 0.074 | 48% | 0.482 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | 26 | 178.9 | -59.7 | 0 | 0 | 0 | 0 | 114.5 | F114 L115 N116 F174 A177 | C112-F114 PolarHBondContact O-N 3.25Å; C112-L115 HydrophobicContact CB-CB 4.46Å; C112-L115 HydrophobicContact CB-CD1 4.32Å; C112-L115 WeakPolarHBondContact O-CB 3.31Å; C112-L115 PolarHBondContact O-N 2.98Å; C112-N116 VanDerWaalsContact O-CG 3.26Å; C112-N116 PolarHBondContact O-N 2.92Å; C112-N116 PolarHBondContact O-ND2 3.04Å; C112-N116 VanDerWaalsContact O-ND2 3.16Å; C112-F174 HydrophobicContact CB-CB 3.67Å; C112-A177 VanDerWaalsContact SG-CB 3.59Å |
| 113 | N | 87.2 | Confident | 72.1 | Confident | 100 Ų | 100 | 80.5 Ų | 80.5 | 54% | 0.535 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61 | -38.9 | -171.2 | -74.4 | -28.6 | 0 | 0 | 0 | 113.4 | T111 N116 A117 | T111-N113 PolarHBondContact O-N 3.45Å; N113-N116 PolarHBondContact O-N 2.88Å; N113-A117 PolarHBondContact O-N 2.82Å |
| 114 | F | 87.1 | Confident | 74.2 | Confident | 140 Ų | 140 | 80.9 Ų | 80.9 | 61% | 0.614 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -67.3 | -42 | 176.6 | 79.3 | -84.5 | 0 | 0 | 0 | 111.7 | C112 A117 I118 | C112-F114 PolarHBondContact O-N 3.25Å; F114-A117 PolarHBondContact O-N 2.91Å; F114-I118 HydrophobicContact CD2-CD1 4.06Å; F114-I118 WeakPolarHBondContact O-CG1 3.06Å; F114-I118 PolarHBondContact O-N 2.84Å |
| 115 | L | 82.1 | Confident | 76.3 | Confident | 58 Ų | 58 | 79.9 Ų | 79.9 | 30% | 0.304 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.2 | -47.4 | 173.5 | -64.6 | 175.3 | 0 | 0 | 0 | 110.8 | C112 A117 I118 F119 | C112-L115 HydrophobicContact CB-CB 4.46Å; C112-L115 HydrophobicContact CB-CD1 4.32Å; C112-L115 WeakPolarHBondContact O-CB 3.31Å; C112-L115 PolarHBondContact O-N 2.98Å; L115-A117 VanDerWaalsContact C-N 3.28Å; L115-A117 PolarHBondContact O-N 2.68Å; L115-I118 PolarHBondContact O-N 2.82Å; L115-F119 HydrophobicContact CB-CD2 4.31Å; L115-F119 HydrophobicContact CB-CE2 3.76Å; L115-F119 HydrophobicContact CB-CZ 3.99Å; L115-F119 HydrophobicContact CD2-CZ 4.25Å; L115-F119 WeakPolarHBondContact O-CB 3.45Å; L115-F119 WeakPolarHBondContact O-CD1 3.21Å; L115-F119 VanDerWaalsContact O-CD2 3.22Å; L115-F119 WeakPolarHBondContact O-CD2 3.29Å; L115-F119 WeakPolarHBondContact O-CG 3.47Å; L115-F119 PolarHBondContact O-N 3.25Å |
| 116 | N | 85.2 | Confident | 78.2 | Confident | 15 Ų | 15 | 77 Ų | 77 | 8% | 0.08 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -57.9 | -38.6 | 176.4 | -66 | -37.2 | 0 | 0 | 0 | 112.4 | C112 N113 L120 F174 | C112-N116 VanDerWaalsContact O-CG 3.26Å; C112-N116 PolarHBondContact O-N 2.92Å; C112-N116 PolarHBondContact O-ND2 3.04Å; C112-N116 VanDerWaalsContact O-ND2 3.16Å; N113-N116 PolarHBondContact O-N 2.88Å; N116-L120 VanDerWaalsContact O-CB 3.28Å; N116-L120 WeakPolarHBondContact O-CB 3.29Å; N116-L120 PolarHBondContact O-N 3.02Å; N116-F174 PolarHBondContact ND2-O 3.16Å; N116-F174 PolarHBondContact OD1-N 2.93Å |
| 117 | A | 84 | Confident | 80 | Confident | 58 Ų | 58 | 76.1 Ų | 76.1 | 48% | 0.479 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -67.8 | -44.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N113 F114 L115 L120 F121 | N113-A117 PolarHBondContact O-N 2.82Å; F114-A117 PolarHBondContact O-N 2.91Å; L115-A117 VanDerWaalsContact C-N 3.28Å; L115-A117 PolarHBondContact O-N 2.68Å; A117-L120 PolarHBondContact O-N 3.17Å; A117-F121 PolarHBondContact O-N 2.72Å |
| 118 | I | 80.4 | Confident | 81.1 | Confident | 68 Ų | 68 | 77.9 Ų | 77.9 | 35% | 0.349 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.9 | -43.6 | 175.5 | -61.8 | 162.4 | 0 | 0 | 0 | 110.4 | M18 F114 L115 L120 F121 L122 | M18-I118 HydrophobicContact CE-CG2 3.78Å; M18-I118 HydrophobicContact SD-CG2 3.43Å; M18-I118 WeakPolarHBondContact SD-CG2 3.41Å; F114-I118 HydrophobicContact CD2-CD1 4.06Å; F114-I118 WeakPolarHBondContact O-CG1 3.06Å; F114-I118 PolarHBondContact O-N 2.84Å; L115-I118 PolarHBondContact O-N 2.82Å; I118-L120 VanDerWaalsContact C-N 3.32Å; I118-L120 PolarHBondContact O-N 3.34Å; I118-F121 PolarHBondContact O-N 3.32Å; I118-L122 HydrophobicContact CG2-CD1 4.23Å; I118-L122 WeakPolarHBondContact O-CG 3.46Å; I118-L122 PolarHBondContact O-N 2.73Å |
| 119 | F | 78 | Confident | 82.1 | Confident | 21 Ų | 21 | 71.8 Ų | 71.8 | 9% | 0.092 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.2 | -33.6 | 177 | -60.4 | -20.9 | 0 | 0 | 0 | 112.3 | V14 V15 M18 L115 F123 L171 F174 | V14-F119 HydrophobicContact CG1-CB 4.1Å; V14-F119 HydrophobicContact CG1-CD1 3.29Å; V14-F119 HydrophobicContact CG1-CE1 3.87Å; V14-F119 HydrophobicContact CG1-CG 3.82Å; V15-F119 HydrophobicContact CG2-CZ 4.41Å; M18-F119 HydrophobicContact CG-CD1 4.4Å; M18-F119 HydrophobicContact CG-CE1 4.1Å; M18-F119 HydrophobicContact SD-CD1 4.13Å; M18-F119 HydrophobicContact SD-CE1 3.87Å; L115-F119 HydrophobicContact CB-CD2 4.31Å; L115-F119 HydrophobicContact CB-CE2 3.76Å; L115-F119 HydrophobicContact CB-CZ 3.99Å; L115-F119 HydrophobicContact CD2-CZ 4.25Å; L115-F119 WeakPolarHBondContact O-CB 3.45Å; L115-F119 WeakPolarHBondContact O-CD1 3.21Å; L115-F119 VanDerWaalsContact O-CD2 3.22Å; L115-F119 WeakPolarHBondContact O-CD2 3.29Å; L115-F119 WeakPolarHBondContact O-CG 3.47Å; L115-F119 PolarHBondContact O-N 3.25Å; F119-F123 WeakPolarHBondContact O-CB 3.14Å; F119-F123 PolarHBondContact O-N 3.26Å; F119-L171 HydrophobicContact CB-CD1 3.55Å; F119-F174 HydrophobicContact CD2-CD2 4.1Å; F119-F174 AromaticContact CD2-CE2 3.87Å; F119-F174 HydrophobicContact CD2-CE2 3.87Å; F119-F174 AromaticContact CE2-CD2 3.82Å; F119-F174 HydrophobicContact CE2-CD2 3.82Å; F119-F174 AromaticContact CE2-CE2 3.54Å; F119-F174 HydrophobicContact CE2-CE2 3.54Å |
| 120 | L | 82.5 | Confident | 82 | Confident | 97 Ų | 97 | 72.5 Ų | 72.5 | 51% | 0.508 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -67.5 | -43.9 | 173.8 | 173.9 | 61.8 | 0 | 0 | 0 | 111.5 | N116 A117 I118 F123 R124 L171 | N116-L120 VanDerWaalsContact O-CB 3.28Å; N116-L120 WeakPolarHBondContact O-CB 3.29Å; N116-L120 PolarHBondContact O-N 3.02Å; A117-L120 PolarHBondContact O-N 3.17Å; I118-L120 VanDerWaalsContact C-N 3.32Å; I118-L120 PolarHBondContact O-N 3.34Å; L120-F123 PolarHBondContact O-N 3.45Å; L120-R124 PolarHBondContact O-N 2.98Å; L120-R124 VanDerWaalsContact O-N 3.12Å; L120-L171 HydrophobicContact CB-CD1 4.32Å; L120-L171 HydrophobicContact CB-CD2 3.95Å; L120-L171 HydrophobicContact CD1-CD2 3.69Å; L120-L171 HydrophobicContact CG-CD2 4.37Å |
| 121 | F | 81.1 | Confident | 81.6 | Confident | 134 Ų | 134 | 73.5 Ų | 73.5 | 59% | 0.588 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -60.3 | -52.2 | 175.3 | -177.1 | -91.5 | 0 | 0 | 0 | 111.1 | A117 I118 F123 R124 E125 | A117-F121 PolarHBondContact O-N 2.72Å; I118-F121 PolarHBondContact O-N 3.32Å; F121-F123 VanDerWaalsContact C-N 3.31Å; F121-F123 PolarHBondContact O-N 3.35Å; F121-R124 WeakPolarHBondContact O-CB 3.37Å; F121-R124 PolarHBondContact O-N 2.99Å; F121-E125 HydrophobicContact CE1-CG 4.48Å; F121-E125 PolarHBondContact O-N 2.84Å |
| 122 | L | 78.9 | Confident | 81 | Confident | 29 Ų | 29 | 69.8 Ų | 69.8 | 15% | 0.152 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65 | -32.2 | 177.5 | -68.1 | -179.6 | 0 | 0 | 0 | 113.1 | M18 I118 L126 | M18-L122 HydrophobicContact CE-CD1 3.8Å; M18-L122 HydrophobicContact CG-CD1 3.53Å; M18-L122 HydrophobicContact SD-CD1 3.62Å; I118-L122 HydrophobicContact CG2-CD1 4.23Å; I118-L122 WeakPolarHBondContact O-CG 3.46Å; I118-L122 PolarHBondContact O-N 2.73Å; L122-L126 HydrophobicContact CB-CD1 4.09Å; L122-L126 HydrophobicContact CD2-CD1 4.22Å; L122-L126 WeakPolarHBondContact O-CB 3.34Å; L122-L126 VanDerWaalsContact O-CG 3.29Å; L122-L126 WeakPolarHBondContact O-CG 3.13Å; L122-L126 PolarHBondContact O-N 3.44Å |
| 123 | F | 80.5 | Confident | 80.7 | Confident | 7 Ų | 7 | 74.3 Ų | 74.3 | 3% | 0.031 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.4 | -45.3 | 175.5 | -179.4 | -132.1 | 0 | 0 | 0 | 111.6 | F10 F119 L120 F121 E125 R127 L167 G168 L171 | F10-F123 HydrophobicContact CE1-CD2 4.36Å; F10-F123 AromaticContact CE2-CD2 3.32Å; F10-F123 HydrophobicContact CE2-CD2 3.32Å; F10-F123 AromaticContact CE2-CE2 3.72Å; F10-F123 HydrophobicContact CE2-CE2 3.72Å; F10-F123 HydrophobicContact CE2-CG 4.3Å; F10-F123 HydrophobicContact CZ-CB 3.96Å; F10-F123 AromaticContact CZ-CD2 3.22Å; F10-F123 HydrophobicContact CZ-CD2 3.22Å; F10-F123 AromaticContact CZ-CE2 3.83Å; F10-F123 HydrophobicContact CZ-CE2 3.83Å; F10-F123 AromaticContact CZ-CG 3.77Å; F10-F123 HydrophobicContact CZ-CG 3.77Å; F119-F123 WeakPolarHBondContact O-CB 3.14Å; F119-F123 PolarHBondContact O-N 3.26Å; L120-F123 PolarHBondContact O-N 3.45Å; F121-F123 VanDerWaalsContact C-N 3.31Å; F121-F123 PolarHBondContact O-N 3.35Å; F123-E125 PolarHBondContact O-N 3.39Å; F123-R127 HydrophobicContact CD2-CB 3.64Å; F123-R127 HydrophobicContact CD2-CG 4.43Å; F123-R127 HydrophobicContact CE2-CB 3.5Å; F123-R127 HydrophobicContact CE2-CG 4.28Å; F123-R127 HydrophobicContact CZ-CB 4.32Å; F123-R127 WeakPolarHBondContact O-CB 3.17Å; F123-R127 WeakPolarHBondContact O-CD 3.1Å; F123-R127 WeakPolarHBondContact O-CG 3.16Å; F123-R127 PolarHBondContact O-N 2.73Å; F123-R127 VanDerWaalsContact O-N 3.09Å; F123-L167 HydrophobicContact CE2-CB 4.02Å; F123-L167 HydrophobicContact CE2-CD1 4.43Å; F123-L167 HydrophobicContact CZ-CB 4.34Å; F123-G168 WeakPolarHBondContact CZ-O 3.47Å; F123-L171 HydrophobicContact CD1-CB 4.39Å |
| 124 | R | 82.4 | Confident | 80.3 | Confident | 185 Ų | 185 | 75.5 Ų | 75.5 | 70% | 0.698 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -55.8 | -49.5 | 178.7 | 177.4 | -173.1 | 154 | 140.9 | 4.3 | 111.5 | L120 F121 | L120-R124 PolarHBondContact O-N 2.98Å; L120-R124 VanDerWaalsContact O-N 3.12Å; F121-R124 WeakPolarHBondContact O-CB 3.37Å; F121-R124 PolarHBondContact O-N 2.99Å |
| 125 | E | 83.1 | Confident | 79.8 | Confident | 98 Ų | 98 | 73 Ų | 73 | 46% | 0.458 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -78.5 | -37 | -175 | -54.7 | -51.5 | 126.2 | 0 | 0 | 112.9 | F121 F123 T129 | F121-E125 HydrophobicContact CE1-CG 4.48Å; F121-E125 PolarHBondContact O-N 2.84Å; F123-E125 PolarHBondContact O-N 3.39Å; E125-T129 WeakPolarHBondContact O-CG2 3.47Å |
| 126 | L | 77.6 | Confident | 79.4 | Confident | 30 Ų | 30 | 70.4 Ų | 70.4 | 16% | 0.157 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -93.7 | -25.5 | -169.5 | -59.4 | 173.8 | 0 | 0 | 0 | 114.5 | L17 F21 L122 D128 T129 V132 | L17-L126 HydrophobicContact CB-CD1 4.11Å; L17-L126 HydrophobicContact CD1-CD1 4.03Å; F21-L126 HydrophobicContact CE2-CD2 4.35Å; L122-L126 HydrophobicContact CB-CD1 4.09Å; L122-L126 HydrophobicContact CD2-CD1 4.22Å; L122-L126 WeakPolarHBondContact O-CB 3.34Å; L122-L126 VanDerWaalsContact O-CG 3.29Å; L122-L126 WeakPolarHBondContact O-CG 3.13Å; L122-L126 PolarHBondContact O-N 3.44Å; L126-D128 VanDerWaalsContact C-N 3.33Å; L126-D128 PolarHBondContact O-N 2.71Å; L126-T129 WeakPolarHBondContact O-CB 3.42Å; L126-T129 WeakPolarHBondContact O-CG2 3.33Å; L126-T129 PolarHBondContact O-N 3.49Å; L126-T129 PolarHBondContact O-OG1 3.48Å; L126-V132 HydrophobicContact CB-CG2 4.21Å; L126-V132 WeakPolarHBondContact O-CB 3.42Å; L126-V132 VanDerWaalsContact O-CG2 3.31Å; L126-V132 WeakPolarHBondContact O-CG2 2.95Å |
| 127 | R | 76.2 | Confident | 79.1 | Confident | 68 Ų | 68 | 71.3 Ų | 71.3 | 26% | 0.257 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -38.3 | -169.9 | 70.2 | -173.9 | -163.8 | 145.4 | 17 | 114.3 | F123 L167 G168 N169 | F123-R127 HydrophobicContact CD2-CB 3.64Å; F123-R127 HydrophobicContact CD2-CG 4.43Å; F123-R127 HydrophobicContact CE2-CB 3.5Å; F123-R127 HydrophobicContact CE2-CG 4.28Å; F123-R127 HydrophobicContact CZ-CB 4.32Å; F123-R127 WeakPolarHBondContact O-CB 3.17Å; F123-R127 WeakPolarHBondContact O-CD 3.1Å; F123-R127 WeakPolarHBondContact O-CG 3.16Å; F123-R127 PolarHBondContact O-N 2.73Å; F123-R127 VanDerWaalsContact O-N 3.09Å; R127-L167 HydrophobicContact CB-CB 4.49Å; R127-L167 HydrophobicContact CB-CD1 3.66Å; R127-L167 WeakPolarHBondContact O-CD1 3.41Å; R127-G168 PolarHBondContact NH1-O 2.94Å; R127-N169 PolarHBondContact NH1-OD1 2.66Å |
| 128 | D | 78.9 | Confident | 78.9 | Confident | 87 Ų | 87 | 75.3 Ų | 75.3 | 47% | 0.465 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -3.1 | -172.5 | -71.4 | -49 | 0 | 0 | 0 | 112.7 | L126 R133 | L126-D128 VanDerWaalsContact C-N 3.33Å; L126-D128 PolarHBondContact O-N 2.71Å; D128-R133 PolarHBondContact O-NH1 2.98Å; D128-R133 PolarHBondContact O-NH2 3.01Å; D128-R133 IonicContact OD1-NH2 3.45Å |
| 129 | T | 80.9 | Confident | 78.7 | Confident | 39 Ų | 39 | 76.7 Ų | 76.7 | 24% | 0.239 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -65.5 | 147.6 | -179 | 66.3 | 0 | 0 | 0 | 0 | 112.7 | E125 L126 V131 V132 R133 | E125-T129 WeakPolarHBondContact O-CG2 3.47Å; L126-T129 WeakPolarHBondContact O-CB 3.42Å; L126-T129 WeakPolarHBondContact O-CG2 3.33Å; L126-T129 PolarHBondContact O-N 3.49Å; L126-T129 PolarHBondContact O-OG1 3.48Å; T129-V131 PolarHBondContact O-N 3.01Å; T129-V132 PolarHBondContact O-N 2.91Å; T129-V132 WeakPolarHBondContact OG1-CB 3.49Å; T129-V132 WeakPolarHBondContact OG1-CG2 3.49Å; T129-V132 PolarHBondContact OG1-N 2.7Å; T129-R133 WeakPolarHBondContact O-CB 2.98Å; T129-R133 PolarHBondContact O-N 2.87Å |
| 130 | P | 78.1 | Confident | 78.5 | Confident | 99 Ų | 99 | 75.7 Ų | 75.7 | 64% | 0.643 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -63.6 | -31.8 | 175.4 | 26.3 | -34.4 | 0 | 0 | 0 | 112 | R133 H134 | P130-R133 PolarHBondContact O-N 2.59Å; P130-H134 WeakPolarHBondContact O-CB 3.01Å; P130-H134 PolarHBondContact O-N 3.49Å |
| 131 | V | 77.4 | Confident | 78.4 | Confident | 106 Ų | 106 | 77.3 Ų | 77.3 | 64% | 0.642 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -62.1 | -51.7 | 178.1 | -178.4 | 0 | 0 | 0 | 0 | 111 | T129 W135 | T129-V131 PolarHBondContact O-N 3.01Å; V131-W135 WeakPolarHBondContact O-CB 3.5Å; V131-W135 PolarHBondContact O-N 3.45Å |
| 132 | V | 75.2 | Confident | 78.3 | Confident | 15 Ų | 15 | 74.5 Ų | 74.5 | 9% | 0.091 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.5 | -43.3 | 177.5 | 173.9 | 0 | 0 | 0 | 0 | 110.7 | L17 L126 T129 H134 W135 M136 L167 | L17-V132 HydrophobicContact CD1-CG2 3.89Å; L126-V132 HydrophobicContact CB-CG2 4.21Å; L126-V132 WeakPolarHBondContact O-CB 3.42Å; L126-V132 VanDerWaalsContact O-CG2 3.31Å; L126-V132 WeakPolarHBondContact O-CG2 2.95Å; T129-V132 PolarHBondContact O-N 2.91Å; T129-V132 WeakPolarHBondContact OG1-CB 3.49Å; T129-V132 WeakPolarHBondContact OG1-CG2 3.49Å; T129-V132 PolarHBondContact OG1-N 2.7Å; V132-H134 PolarHBondContact O-N 2.93Å; V132-W135 PolarHBondContact O-N 3.43Å; V132-M136 WeakPolarHBondContact O-CB 3.33Å; V132-M136 PolarHBondContact O-N 2.86Å; V132-L167 HydrophobicContact CG1-CD1 3.91Å |
| 133 | R | 78.3 | Confident | 78 | Confident | 107 Ų | 107 | 73.7 Ų | 73.7 | 40% | 0.404 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 178.9 | -168.9 | 178.5 | -68.7 | 106.9 | 6.3 | 112.3 | D128 T129 P130 T137 I165 | D128-R133 PolarHBondContact O-NH1 2.98Å; D128-R133 PolarHBondContact O-NH2 3.01Å; D128-R133 IonicContact OD1-NH2 3.45Å; T129-R133 WeakPolarHBondContact O-CB 2.98Å; T129-R133 PolarHBondContact O-N 2.87Å; P130-R133 PolarHBondContact O-N 2.59Å; R133-T137 VanDerWaalsContact O-CB 3.29Å; R133-T137 WeakPolarHBondContact O-CB 3.44Å; R133-T137 PolarHBondContact O-N 3.34Å; R133-T137 PolarHBondContact O-OG1 3.08Å; R133-I165 HydrophobicContact CG-CG2 4.17Å |
| 134 | H | 78.4 | Confident | 77.8 | Confident | 124 Ų | 124 | 73.7 Ų | 73.7 | 57% | 0.574 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -65.9 | -51.9 | 175.5 | 176.9 | 98 | 0 | 0 | 0 | 111.4 | P130 V132 M136 T137 K138 | P130-H134 WeakPolarHBondContact O-CB 3.01Å; P130-H134 PolarHBondContact O-N 3.49Å; V132-H134 PolarHBondContact O-N 2.93Å; H134-M136 PolarHBondContact O-N 3.35Å; H134-T137 WeakPolarHBondContact O-CB 3.48Å; H134-T137 PolarHBondContact O-N 2.89Å; H134-T137 VanDerWaalsContact O-N 3.13Å; H134-K138 PolarHBondContact O-N 3.42Å |
| 135 | W | 77.6 | Confident | 77.7 | Confident | 87 Ų | 87 | 70.2 Ų | 70.2 | 33% | 0.33 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -56.4 | -43.3 | -180 | -178.8 | 98.4 | 0 | 0 | 0 | 111.2 | A9 A13 V131 V132 K138 K139 | A9-W135 HydrophobicContact CB-CH2 3.63Å; A9-W135 HydrophobicContact CB-CZ3 3.73Å; A9-W135 VanDerWaalsContact O-CH2 3.24Å; A9-W135 WeakPolarHBondContact O-CH2 3.15Å; A9-W135 WeakPolarHBondContact O-CZ3 3.15Å; A13-W135 HydrophobicContact CB-CE3 4.24Å; A13-W135 HydrophobicContact CB-CH2 3.72Å; A13-W135 HydrophobicContact CB-CZ2 4.22Å; A13-W135 HydrophobicContact CB-CZ3 3.73Å; V131-W135 WeakPolarHBondContact O-CB 3.5Å; V131-W135 PolarHBondContact O-N 3.45Å; V132-W135 PolarHBondContact O-N 3.43Å; W135-K138 PolarHBondContact O-N 3.15Å; W135-K139 HydrophobicContact CD2-CG 4.18Å; W135-K139 HydrophobicContact CE3-CG 4.15Å; W135-K139 HydrophobicContact CH2-CG 4.14Å; W135-K139 HydrophobicContact CZ2-CG 4.16Å; W135-K139 HydrophobicContact CZ3-CG 4.13Å; W135-K139 WeakPolarHBondContact O-CG 3.49Å; W135-K139 PolarHBondContact O-N 3.13Å |
| 136 | M | 72.1 | Confident | 77.2 | Confident | 4 Ų | 4 | 67.5 Ų | 67.5 | 2% | 0.02 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68.3 | -41.8 | 178.7 | -159.6 | 61.6 | -105.6 | 0 | 0 | 111.6 | I5 L6 A9 V132 H134 K138 K139 I140 I165 | I5-M136 HydrophobicContact CG2-CE 4.04Å; L6-M136 HydrophobicContact CD1-CE 3.94Å; L6-M136 HydrophobicContact CD1-CG 4.16Å; L6-M136 HydrophobicContact CD1-SD 4.17Å; L6-M136 HydrophobicContact CD2-CE 4.31Å; L6-M136 HydrophobicContact CD2-CG 3.82Å; L6-M136 HydrophobicContact CD2-SD 3.49Å; L6-M136 WeakPolarHBondContact CD2-SD 3.22Å; L6-M136 HydrophobicContact CG-CE 3.62Å; L6-M136 HydrophobicContact CG-CG 4.02Å; L6-M136 HydrophobicContact CG-SD 3.49Å; L6-M136 WeakPolarHBondContact CG-SD 3.45Å; A9-M136 HydrophobicContact CB-CE 4.17Å; A9-M136 HydrophobicContact CB-SD 4.24Å; V132-M136 WeakPolarHBondContact O-CB 3.33Å; V132-M136 PolarHBondContact O-N 2.86Å; H134-M136 PolarHBondContact O-N 3.35Å; M136-K138 PolarHBondContact O-N 2.76Å; M136-K139 HydrophobicContact CE-CB 3.73Å; M136-K139 PolarHBondContact O-N 3.01Å; M136-I140 HydrophobicContact CE-CD1 4.27Å; M136-I140 HydrophobicContact CE-CG1 3.92Å; M136-I140 HydrophobicContact CG-CD1 4.21Å; M136-I140 VanDerWaalsContact O-CG1 3.24Å; M136-I140 WeakPolarHBondContact O-CG1 3.17Å; M136-I140 PolarHBondContact O-N 3.16Å; M136-I165 HydrophobicContact CB-CD1 3.91Å; M136-I165 HydrophobicContact CG-CD1 3.46Å; M136-I165 VanDerWaalsContact CG-CD1 3.46Å |
| 137 | T | 80.3 | Confident | 76.8 | Confident | 35 Ų | 35 | 67.8 Ų | 67.8 | 22% | 0.215 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.3 | -46.2 | 172.2 | -64 | 0 | 0 | 0 | 0 | 111.7 | R133 H134 K139 I140 K141 L162 | R133-T137 VanDerWaalsContact O-CB 3.29Å; R133-T137 WeakPolarHBondContact O-CB 3.44Å; R133-T137 PolarHBondContact O-N 3.34Å; R133-T137 PolarHBondContact O-OG1 3.08Å; H134-T137 WeakPolarHBondContact O-CB 3.48Å; H134-T137 PolarHBondContact O-N 2.89Å; H134-T137 VanDerWaalsContact O-N 3.13Å; T137-K139 PolarHBondContact O-N 2.8Å; T137-I140 PolarHBondContact O-N 2.78Å; T137-I140 VanDerWaalsContact O-N 3.13Å; T137-K141 PolarHBondContact O-N 2.87Å; T137-L162 HydrophobicContact CG2-CD2 4.12Å |
| 138 | K | 79.7 | Confident | 76.6 | Confident | 141 Ų | 141 | 66.6 Ų | 66.6 | 61% | 0.613 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -62 | -41.4 | 177.4 | -168.5 | 163.9 | -175.3 | 166.4 | 0 | 111.6 | H134 W135 M136 I140 V142 | H134-K138 PolarHBondContact O-N 3.42Å; W135-K138 PolarHBondContact O-N 3.15Å; M136-K138 PolarHBondContact O-N 2.76Å; K138-I140 VanDerWaalsContact C-N 3.33Å; K138-I140 PolarHBondContact O-N 2.83Å; K138-V142 WeakPolarHBondContact O-CG2 3.49Å; K138-V142 PolarHBondContact O-N 2.97Å |
| 139 | K | 76 | Confident | 76.2 | Confident | 97 Ų | 97 | 69 Ų | 69 | 42% | 0.422 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -68.7 | -26.2 | 174.1 | -65.8 | -55.6 | 179.8 | -166.5 | 0 | 113.9 | W135 M136 T137 | W135-K139 HydrophobicContact CD2-CG 4.18Å; W135-K139 HydrophobicContact CE3-CG 4.15Å; W135-K139 HydrophobicContact CH2-CG 4.14Å; W135-K139 HydrophobicContact CZ2-CG 4.16Å; W135-K139 HydrophobicContact CZ3-CG 4.13Å; W135-K139 WeakPolarHBondContact O-CG 3.49Å; W135-K139 PolarHBondContact O-N 3.13Å; M136-K139 HydrophobicContact CE-CB 3.73Å; M136-K139 PolarHBondContact O-N 3.01Å; T137-K139 PolarHBondContact O-N 2.8Å |
| 140 | I | 74.3 | Confident | 75.7 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -77.4 | -45.5 | 176.4 | -70.2 | 167 | 0 | 0 | 0 | 111.2 | I2 L6 M136 T137 K138 V142 E143 F144 L162 I165 L208 | I2-I140 HydrophobicContact CG1-CG2 3.99Å; I2-I140 HydrophobicContact CG2-CD1 3.63Å; I2-I140 HydrophobicContact CG2-CG1 3.67Å; I2-I140 HydrophobicContact CG2-CG2 4.2Å; L6-I140 HydrophobicContact CD1-CD1 3.95Å; L6-I140 HydrophobicContact CD1-CG1 4.45Å; M136-I140 HydrophobicContact CE-CD1 4.27Å; M136-I140 HydrophobicContact CE-CG1 3.92Å; M136-I140 HydrophobicContact CG-CD1 4.21Å; M136-I140 VanDerWaalsContact O-CG1 3.24Å; M136-I140 WeakPolarHBondContact O-CG1 3.17Å; M136-I140 PolarHBondContact O-N 3.16Å; T137-I140 PolarHBondContact O-N 2.78Å; T137-I140 VanDerWaalsContact O-N 3.13Å; K138-I140 VanDerWaalsContact C-N 3.33Å; K138-I140 PolarHBondContact O-N 2.83Å; I140-V142 VanDerWaalsContact C-N 3.35Å; I140-V142 PolarHBondContact O-N 2.85Å; I140-E143 CarbonylContact O-C 3.5Å; I140-E143 PolarHBondContact O-N 2.83Å; I140-E143 VanDerWaalsContact O-N 3.14Å; I140-F144 HydrophobicContact CG2-CD1 4.3Å; I140-F144 HydrophobicContact CG2-CD2 4.16Å; I140-F144 HydrophobicContact CG2-CE1 3.99Å; I140-F144 HydrophobicContact CG2-CE2 3.85Å; I140-F144 HydrophobicContact CG2-CG 4.38Å; I140-F144 HydrophobicContact CG2-CZ 3.74Å; I140-F144 PolarHBondContact O-N 2.99Å; I140-L162 HydrophobicContact CB-CD2 4.44Å; I140-L162 HydrophobicContact CD1-CD2 4.25Å; I140-L162 HydrophobicContact CG2-CD2 4.15Å; I140-I165 HydrophobicContact CD1-CD1 3.46Å; I140-I165 VanDerWaalsContact CD1-CD1 3.46Å; I140-I165 HydrophobicContact CD1-CG1 4.19Å; I140-L208 HydrophobicContact CD1-CD1 3.96Å |
| 141 | K | 79.3 | Confident | 74.8 | Confident | 131 Ų | 131 | 72 Ų | 72 | 57% | 0.57 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -54.7 | -48.7 | 177.3 | -72.8 | -173.5 | 175 | -169.1 | 0 | 111.7 | T137 E143 F144 E145 | T137-K141 PolarHBondContact O-N 2.87Å; K141-E143 VanDerWaalsContact C-N 3.31Å; K141-E143 PolarHBondContact O-N 2.91Å; K141-F144 WeakPolarHBondContact O-CB 3.23Å; K141-F144 PolarHBondContact O-N 3.02Å; K141-F144 VanDerWaalsContact O-N 3.1Å; K141-E145 PolarHBondContact O-N 3.05Å |
| 142 | V | 78.8 | Confident | 74.2 | Confident | 76 Ų | 76 | 70.5 Ų | 70.5 | 46% | 0.461 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57.6 | -39.4 | 177.4 | 173 | 0 | 0 | 0 | 0 | 113 | K138 I140 E146 | K138-V142 WeakPolarHBondContact O-CG2 3.49Å; K138-V142 PolarHBondContact O-N 2.97Å; I140-V142 VanDerWaalsContact C-N 3.35Å; I140-V142 PolarHBondContact O-N 2.85Å; V142-E146 PolarHBondContact O-N 3.21Å |
| 143 | E | 72.8 | Confident | 73.5 | Confident | 12 Ų | 12 | 70 Ų | 70 | 6% | 0.056 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -93.2 | 0.4 | -178.4 | -53 | -110.9 | -171.3 | 0 | 0 | 112.4 | M1 I5 I140 K141 K293 K826 | M1-E143 HydrophobicContact CB-CB 4.41Å; M1-E143 HydrophobicContact CE-CB 4.36Å; M1-E143 WeakPolarHBondContact CE-OE2 3.32Å; M1-E143 HydrophobicContact CG-CB 4.46Å; M1-E143 HydrophobicContact SD-CB 4.3Å; M1-E143 VanDerWaalsContact SD-OE2 3.38Å; I5-E143 HydrophobicContact CD1-CB 4.28Å; I5-E143 HydrophobicContact CD1-CG 4.13Å; I5-E143 HydrophobicContact CG1-CB 4.42Å; I5-E143 HydrophobicContact CG1-CG 3.89Å; I140-E143 CarbonylContact O-C 3.5Å; I140-E143 PolarHBondContact O-N 2.83Å; I140-E143 VanDerWaalsContact O-N 3.14Å; K141-E143 VanDerWaalsContact C-N 3.31Å; K141-E143 PolarHBondContact O-N 2.91Å; E143-K293 IonicContact OE1-NZ 2.81Å; E143-K293 PolarHBondContact OE1-NZ 2.8Å; E143-K826 IonicContact OE1-NZ 2.76Å; E143-K826 IonicContact OE2-NZ 2.72Å; E143-K826 PolarHBondContact OE2-NZ 3.22Å |
| 144 | F | 77 | Confident | 72.7 | Confident | 7 Ų | 7 | 67 Ų | 67 | 3% | 0.031 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -81.4 | -43.4 | 157 | -78 | -18.1 | 0 | 0 | 0 | 110.7 | I2 I140 K141 L147 L148 L160 L162 L208 I210 | I2-F144 HydrophobicContact CD1-CD1 4.01Å; I2-F144 HydrophobicContact CD1-CE1 3.54Å; I2-F144 HydrophobicContact CG1-CD1 4.05Å; I2-F144 HydrophobicContact CG1-CE1 3.53Å; I2-F144 HydrophobicContact CG1-CZ 4.36Å; I140-F144 HydrophobicContact CG2-CD1 4.3Å; I140-F144 HydrophobicContact CG2-CD2 4.16Å; I140-F144 HydrophobicContact CG2-CE1 3.99Å; I140-F144 HydrophobicContact CG2-CE2 3.85Å; I140-F144 HydrophobicContact CG2-CG 4.38Å; I140-F144 HydrophobicContact CG2-CZ 3.74Å; I140-F144 PolarHBondContact O-N 2.99Å; K141-F144 WeakPolarHBondContact O-CB 3.23Å; K141-F144 PolarHBondContact O-N 3.02Å; K141-F144 VanDerWaalsContact O-N 3.1Å; F144-L147 CarbonylContact O-C 3.54Å; F144-L147 WeakPolarHBondContact O-CA 3.16Å; F144-L147 VanDerWaalsContact O-CB 3.28Å; F144-L147 WeakPolarHBondContact O-CB 3.46Å; F144-L147 PolarHBondContact O-N 2.82Å; F144-L148 PolarHBondContact O-N 2.8Å; F144-L160 HydrophobicContact CB-CB 4.08Å; F144-L160 HydrophobicContact CB-CD1 4.22Å; F144-L160 HydrophobicContact CD1-CB 4.37Å; F144-L160 HydrophobicContact CD1-CD1 4.11Å; F144-L160 HydrophobicContact CD2-CB 3.85Å; F144-L160 VanDerWaalsContact CD2-O 3.3Å; F144-L160 WeakPolarHBondContact CD2-O 3.38Å; F144-L160 HydrophobicContact CE2-CB 4.3Å; F144-L160 HydrophobicContact CG-CB 3.9Å; F144-L160 HydrophobicContact CG-CD1 4.24Å; F144-L162 HydrophobicContact CE2-CB 4.06Å; F144-L208 HydrophobicContact CE1-CD2 4.41Å; F144-L208 HydrophobicContact CZ-CD2 4.15Å; F144-I210 HydrophobicContact CE1-CD1 3.89Å; F144-I210 HydrophobicContact CE1-CG2 4.32Å; F144-I210 HydrophobicContact CE2-CG2 4.01Å; F144-I210 HydrophobicContact CZ-CB 4.47Å; F144-I210 HydrophobicContact CZ-CD1 3.87Å; F144-I210 HydrophobicContact CZ-CG1 4.1Å; F144-I210 HydrophobicContact CZ-CG2 3.59Å |
| 145 | E | 79.8 | Confident | 72.3 | Confident | 112 Ų | 112 | 70.3 Ų | 70.3 | 52% | 0.523 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.4 | -48.8 | -178.2 | -165.5 | -178.2 | 163.1 | 0 | 0 | 111.8 | K141 L147 L148 Q149 | K141-E145 PolarHBondContact O-N 3.05Å; E145-L147 PolarHBondContact O-N 2.86Å; E145-L148 PolarHBondContact O-N 2.99Å; E145-L148 VanDerWaalsContact O-N 3.12Å; E145-Q149 WeakPolarHBondContact O-CG 3.42Å; E145-Q149 PolarHBondContact O-N 2.76Å |
| 146 | E | 73.4 | Confident | 71.7 | Confident | 40 Ų | 40 | 70.5 Ų | 70.5 | 19% | 0.187 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.7 | -28 | 170.5 | 177.9 | 178.2 | 160.7 | 0 | 0 | 113.1 | M1 V142 T150 K286 K826 | M1-E146 HydrophobicContact CE-CG 4.25Å; V142-E146 PolarHBondContact O-N 3.21Å; E146-T150 PolarHBondContact O-N 2.76Å; E146-T150 PolarHBondContact O-OG1 2.95Å; E146-K286 WeakPolarHBondContact OE1-CE 3.39Å; E146-K286 IonicContact OE1-NZ 3.91Å; E146-K286 PolarHBondContact OE1-NZ 3.01Å; E146-K826 IonicContact OE1-NZ 2.65Å; E146-K826 PolarHBondContact OE1-NZ 3.03Å; E146-K826 WeakPolarHBondContact OE2-CE 2.92Å; E146-K826 IonicContact OE2-NZ 2.72Å; E146-K826 PolarHBondContact OE2-NZ 3.07Å |
| 147 | L | 69.3 | Low | 71.9 | Confident | 36 Ų | 36 | 70.6 Ų | 70.6 | 19% | 0.188 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -74 | -42.4 | 175.9 | -166.2 | 148.6 | 0 | 0 | 0 | 110.6 | M1 F144 E145 T150 A153 L157 L160 | M1-L147 HydrophobicContact CG-CD1 4.09Å; F144-L147 CarbonylContact O-C 3.54Å; F144-L147 WeakPolarHBondContact O-CA 3.16Å; F144-L147 VanDerWaalsContact O-CB 3.28Å; F144-L147 WeakPolarHBondContact O-CB 3.46Å; F144-L147 PolarHBondContact O-N 2.82Å; E145-L147 PolarHBondContact O-N 2.86Å; L147-T150 VanDerWaalsContact O-CB 3.27Å; L147-T150 WeakPolarHBondContact O-CB 3.48Å; L147-T150 PolarHBondContact O-N 3.41Å; L147-T150 VanDerWaalsContact O-N 3.15Å; L147-A153 HydrophobicContact CD2-CB 3.71Å; L147-A153 VanDerWaalsContact O-CB 3.28Å; L147-A153 WeakPolarHBondContact O-CB 3.16Å; L147-L157 HydrophobicContact CD2-CD1 4.22Å; L147-L160 HydrophobicContact CD2-CD1 3.91Å |
| 148 | L | 70.9 | Confident | 71.9 | Confident | 44 Ų | 44 | 74.9 Ų | 74.9 | 23% | 0.23 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.9 | -44.4 | 173.1 | -69.2 | 171.1 | 0 | 0 | 0 | 111.5 | F144 E145 T150 G154 L157 L160 | F144-L148 PolarHBondContact O-N 2.8Å; E145-L148 PolarHBondContact O-N 2.99Å; E145-L148 VanDerWaalsContact O-N 3.12Å; L148-T150 PolarHBondContact O-N 3.3Å; L148-G154 WeakPolarHBondContact O-CA 3.48Å; L148-G154 PolarHBondContact O-N 2.65Å; L148-L157 HydrophobicContact CD2-CB 3.79Å; L148-L160 HydrophobicContact CD1-CB 4.48Å; L148-L160 HydrophobicContact CD2-CD1 4.18Å; L148-L160 HydrophobicContact CD2-CG 4.08Å; L148-L160 HydrophobicContact CG-CD1 4.21Å; L148-L160 HydrophobicContact CG-CG 4.39Å |
| 149 | Q | 70.4 | Confident | 72 | Confident | 138 Ų | 138 | 68.9 Ų | 68.9 | 65% | 0.645 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -15.2 | 175 | -68.3 | 170.5 | 5.5 | 0 | 0 | 114 | E145 K151 | E145-Q149 WeakPolarHBondContact O-CG 3.42Å; E145-Q149 PolarHBondContact O-N 2.76Å; Q149-K151 PolarHBondContact O-N 3.09Å |
| 150 | T | 69.8 | Low | 72.3 | Confident | 73 Ų | 73 | 65.8 Ų | 65.8 | 45% | 0.448 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -75.4 | 122.5 | 179.6 | -63.9 | 0 | 0 | 0 | 0 | 111.2 | E146 L147 L148 T152 A153 G154 | E146-T150 PolarHBondContact O-N 2.76Å; E146-T150 PolarHBondContact O-OG1 2.95Å; L147-T150 VanDerWaalsContact O-CB 3.27Å; L147-T150 WeakPolarHBondContact O-CB 3.48Å; L147-T150 PolarHBondContact O-N 3.41Å; L147-T150 VanDerWaalsContact O-N 3.15Å; L148-T150 PolarHBondContact O-N 3.3Å; T150-T152 PolarHBondContact O-N 3Å; T150-A153 PolarHBondContact O-N 3.16Å; T150-G154 PolarHBondContact O-N 2.69Å |
| 151 | K | 59.8 | Low | 72.8 | Confident | 126 Ų | 126 | 68.3 Ų | 68.3 | 55% | 0.548 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.9 | -14.5 | -177.9 | -65.3 | -171 | -178.3 | -173.3 | 0 | 117 | Q149 R155 D1049 | Q149-K151 PolarHBondContact O-N 3.09Å; K151-R155 VanDerWaalsContact O-CD 3.31Å; K151-R155 WeakPolarHBondContact O-CD 3.43Å; K151-R155 WeakPolarHBondContact O-CG 3.09Å; K151-R155 PolarHBondContact O-NE 3.38Å; K151-D1049 IonicContact NZ-OD1 2.67Å; K151-D1049 PolarHBondContact NZ-OD1 3.32Å |
| 152 | T | 64.6 | Low | 73.2 | Confident | 75 Ų | 75 | 64 Ų | 64 | 46% | 0.46 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -26.8 | 176.3 | -46.8 | 0 | 0 | 0 | 0 | 114.2 | T150 | T150-T152 PolarHBondContact O-N 3Š|
| 153 | A | 60.9 | Low | 73.6 | Confident | 6 Ų | 6 | 68 Ų | 68 | 5% | 0.05 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -46.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L147 T150 R155 L156 L157 | L147-A153 HydrophobicContact CD2-CB 3.71Å; L147-A153 VanDerWaalsContact O-CB 3.28Å; L147-A153 WeakPolarHBondContact O-CB 3.16Å; T150-A153 PolarHBondContact O-N 3.16Å; A153-R155 PolarHBondContact O-N 3.01Å; A153-L156 PolarHBondContact O-N 3.45Å; A153-L157 HydrophobicContact CB-CD1 4.37Å; A153-L157 PolarHBondContact O-N 2.9Å |
| 154 | G | 62.7 | Low | 74.3 | Confident | 42 Ų | 42 | 71.2 Ų | 71.2 | 43% | 0.433 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | 3.1 | 174 | 0 | 0 | 0 | 0 | 0 | 116 | L148 T150 L157 | L148-G154 WeakPolarHBondContact O-CA 3.48Å; L148-G154 PolarHBondContact O-N 2.65Å; T150-G154 PolarHBondContact O-N 2.69Å; G154-L157 WeakPolarHBondContact CA-O 3.17Å |
| 155 | R | 68 | Low | 74.6 | Confident | 195 Ų | 195 | 71.8 Ų | 71.8 | 74% | 0.736 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | -7.1 | 169.2 | -69.8 | -176.3 | 178.1 | -177.8 | 0.2 | 113.6 | K151 A153 | K151-R155 VanDerWaalsContact O-CD 3.31Å; K151-R155 WeakPolarHBondContact O-CD 3.43Å; K151-R155 WeakPolarHBondContact O-CG 3.09Å; K151-R155 PolarHBondContact O-NE 3.38Å; A153-R155 PolarHBondContact O-N 3.01Å |
| 156 | L | 66.1 | Low | 74.8 | Confident | 90 Ų | 90 | 68.2 Ų | 68.2 | 47% | 0.471 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.2 | -31.9 | -174.1 | -64.6 | 174.6 | 0 | 0 | 0 | 111.6 | A153 L214 F274 | A153-L156 PolarHBondContact O-N 3.45Å; L156-L214 WeakPolarHBondContact O-CD2 3.43Å; L156-F274 HydrophobicContact CD1-CZ 4.26Å |
| 157 | L | 76.1 | Confident | 75 | Confident | 6 Ų | 6 | 67.5 Ų | 67.5 | 3% | 0.031 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 127.5 | -179.1 | -44.5 | -174.9 | 0 | 0 | 0 | 108.3 | L147 L148 A153 G154 L160 V212 D213 L214 | L147-L157 HydrophobicContact CD2-CD1 4.22Å; L148-L157 HydrophobicContact CD2-CB 3.79Å; A153-L157 HydrophobicContact CB-CD1 4.37Å; A153-L157 PolarHBondContact O-N 2.9Å; G154-L157 WeakPolarHBondContact CA-O 3.17Å; L157-L160 HydrophobicContact CD1-CD1 4.33Å; L157-L160 HydrophobicContact CD1-CD2 4.26Å; L157-L160 HydrophobicContact CD1-CG 4.47Å; L157-V212 HydrophobicContact CD1-CG1 4.47Å; L157-V212 HydrophobicContact CD2-CG1 3.59Å; L157-V212 HydrophobicContact CG-CG1 4.49Å; L157-D213 CarbonylContact C-O 3.54Å; L157-D213 WeakPolarHBondContact CA-O 3.24Å; L157-L214 HydrophobicContact CD2-CD2 3.72Å |
| 158 | E | 80.6 | Confident | 75.6 | Confident | 126 Ų | 126 | 66.1 Ų | 66.1 | 59% | 0.589 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.9 | -40.3 | 174.6 | -172.3 | 170.2 | -178.2 | 0 | 0 | 110 | D213 V215 | E158-D213 PolarHBondContact N-O 3.14Å; E158-V215 HydrophobicContact CB-CG2 4.12Å; E158-V215 WeakPolarHBondContact OE2-CA 3.33Å |
| 159 | G | 81.7 | Confident | 76 | Confident | 15 Ų | 15 | 70.4 Ų | 70.4 | 16% | 0.155 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 157.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | D213 | G159-D213 PolarHBondContact N-O 2.89Å; G159-D213 PolarHBondContact O-N 3.46Å |
| 160 | L | 82.9 | Confident | 76.5 | Confident | 31 Ų | 31 | 65.6 Ų | 65.6 | 16% | 0.162 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 103 | 172.7 | -75.4 | 175.5 | 0 | 0 | 0 | 109 | F144 L147 L148 L157 I210 V212 | F144-L160 HydrophobicContact CB-CB 4.08Å; F144-L160 HydrophobicContact CB-CD1 4.22Å; F144-L160 HydrophobicContact CD1-CB 4.37Å; F144-L160 HydrophobicContact CD1-CD1 4.11Å; F144-L160 HydrophobicContact CD2-CB 3.85Å; F144-L160 VanDerWaalsContact CD2-O 3.3Å; F144-L160 WeakPolarHBondContact CD2-O 3.38Å; F144-L160 HydrophobicContact CE2-CB 4.3Å; F144-L160 HydrophobicContact CG-CB 3.9Å; F144-L160 HydrophobicContact CG-CD1 4.24Å; L147-L160 HydrophobicContact CD2-CD1 3.91Å; L148-L160 HydrophobicContact CD1-CB 4.48Å; L148-L160 HydrophobicContact CD2-CD1 4.18Å; L148-L160 HydrophobicContact CD2-CG 4.08Å; L148-L160 HydrophobicContact CG-CD1 4.21Å; L148-L160 HydrophobicContact CG-CG 4.39Å; L157-L160 HydrophobicContact CD1-CD1 4.33Å; L157-L160 HydrophobicContact CD1-CD2 4.26Å; L157-L160 HydrophobicContact CD1-CG 4.47Å; L160-I210 HydrophobicContact CD2-CG2 4.07Å; L160-V212 HydrophobicContact CD2-CB 4.16Å; L160-V212 HydrophobicContact CD2-CG1 3.85Å; L160-V212 HydrophobicContact CD2-CG2 3.77Å |
| 161 | S | 84.9 | Confident | 77.1 | Confident | 54 Ų | 54 | 62.7 Ų | 62.7 | 38% | 0.378 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 139.1 | 179.2 | 55.3 | 0 | 0 | 0 | 0 | 111.3 | I210 D211 | S161-I210 WeakPolarHBondContact O-CA 3.36Å; S161-I210 WeakPolarHBondContact O-CG2 3.14Å; S161-D211 PolarHBondContact N-O 3.43Å; S161-D211 PolarHBondContact O-N 2.68Å; S161-D211 WeakPolarHBondContact OG-CB 3.24Å; S161-D211 PolarHBondContact OG-O 2.67Å |
| 162 | L | 86.4 | Confident | 78.2 | Confident | 39 Ų | 39 | 56.9 Ų | 56.9 | 20% | 0.204 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 114 | -179 | 179.5 | 59.5 | 0 | 0 | 0 | 109.7 | T137 I140 F144 D164 I165 L208 | T137-L162 HydrophobicContact CG2-CD2 4.12Å; I140-L162 HydrophobicContact CB-CD2 4.44Å; I140-L162 HydrophobicContact CD1-CD2 4.25Å; I140-L162 HydrophobicContact CG2-CD2 4.15Å; F144-L162 HydrophobicContact CE2-CB 4.06Å; L162-D164 WeakPolarHBondContact CD1-O 3.37Å; L162-I165 HydrophobicContact CD2-CB 4.37Å; L162-L208 HydrophobicContact CD1-CD1 3.38Å; L162-L208 HydrophobicContact CD1-CD2 4.27Å; L162-L208 HydrophobicContact CD1-CG 3.61Å |
| 163 | R | 87.6 | Confident | 79.2 | Confident | 160 Ų | 160 | 56 Ų | 56 | 60% | 0.604 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.4 | -46.2 | 176.3 | -175.5 | -177.1 | -64.8 | -145 | -2 | 112.4 | A209 D211 | R163-A209 HydrophobicContact CB-CB 4.1Å; R163-A209 WeakPolarHBondContact CB-O 3.47Å; R163-A209 PolarHBondContact N-O 2.92Å; R163-D211 IonicContact CZ-OD1 2.7Å; R163-D211 IonicContact CZ-OD2 2.82Å; R163-D211 IonicContact NE-OD1 2.73Å; R163-D211 PolarHBondContact NE-OD1 3.47Å; R163-D211 IonicContact NE-OD2 2.73Å; R163-D211 PolarHBondContact NE-OD2 3.28Å; R163-D211 IonicContact NH2-OD1 3.3Å; R163-D211 PolarHBondContact NH2-OD1 3.04Å; R163-D211 IonicContact NH2-OD2 3.02Å; R163-D211 PolarHBondContact NH2-OD2 2.68Å |
| 164 | D | 86.7 | Confident | 80.4 | Confident | 81 Ų | 81 | 57.1 Ų | 57.1 | 43% | 0.433 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 152 | -178.7 | -179.5 | 41.2 | 0 | 0 | 0 | 112.3 | L162 L208 A209 | L162-D164 WeakPolarHBondContact CD1-O 3.37Å; D164-L208 WeakPolarHBondContact O-CA 3.27Å; D164-A209 HydrophobicContact CB-CB 3.9Å; D164-A209 PolarHBondContact N-O 2.9Å; D164-A209 PolarHBondContact O-N 3.21Å |
| 165 | I | 84.8 | Confident | 81.7 | Confident | 19 Ų | 19 | 60.2 Ų | 60.2 | 10% | 0.097 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 122.2 | -178.8 | -174.6 | -168.6 | 0 | 0 | 0 | 110.5 | R133 M136 I140 L162 F206 L208 | R133-I165 HydrophobicContact CG-CG2 4.17Å; M136-I165 HydrophobicContact CB-CD1 3.91Å; M136-I165 HydrophobicContact CG-CD1 3.46Å; M136-I165 VanDerWaalsContact CG-CD1 3.46Å; I140-I165 HydrophobicContact CD1-CD1 3.46Å; I140-I165 VanDerWaalsContact CD1-CD1 3.46Å; I140-I165 HydrophobicContact CD1-CG1 4.19Å; L162-I165 HydrophobicContact CD2-CB 4.37Å; I165-F206 HydrophobicContact CD1-CE2 4.35Å; I165-F206 HydrophobicContact CD1-CZ 4.26Å; I165-F206 HydrophobicContact CG1-CE2 4.02Å; I165-F206 HydrophobicContact CG1-CZ 3.72Å; I165-L208 HydrophobicContact CB-CD1 4.03Å; I165-L208 HydrophobicContact CG1-CD1 3.9Å |
| 166 | S | 84.1 | Confident | 82.7 | Confident | 36 Ų | 36 | 51.7 Ų | 51.7 | 25% | 0.252 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 126.4 | 172.9 | -177.5 | 0 | 0 | 0 | 0 | 111.3 | G168 F206 H207 | S166-G168 PolarHBondContact O-N 3.24Å; S166-G168 PolarHBondContact OG-N 3.48Å; S166-F206 WeakPolarHBondContact O-CA 3.15Å; S166-F206 WeakPolarHBondContact O-CD2 3.34Å; S166-F206 VanDerWaalsContact O-CE2 3.3Å; S166-F206 WeakPolarHBondContact O-CE2 3.47Å; S166-F206 WeakPolarHBondContact O-CG 3.18Å; S166-H207 WeakPolarHBondContact CB-CE1 3.32Å; S166-H207 VanDerWaalsContact CB-NE2 3.29Å; S166-H207 WeakPolarHBondContact CB-NE2 3.39Å; S166-H207 PolarHBondContact N-O 2.81Å; S166-H207 PolarHBondContact O-N 3.3Å; S166-H207 PolarHBondContact OG-CE1 3.03Å |
| 167 | L | 77.6 | Confident | 83.8 | Confident | 25 Ų | 25 | 48 Ų | 48 | 13% | 0.131 | 25% | 0.254 | C | S | . | . | trans | -66.2 | -15.2 | 177.7 | -76.6 | 169.7 | 0 | 0 | 0 | 113.8 | L6 F10 F123 R127 V132 F206 | L6-L167 HydrophobicContact CD2-CD2 3.37Å; F10-L167 HydrophobicContact CD2-CD2 4.29Å; F123-L167 HydrophobicContact CE2-CB 4.02Å; F123-L167 HydrophobicContact CE2-CD1 4.43Å; F123-L167 HydrophobicContact CZ-CB 4.34Å; R127-L167 HydrophobicContact CB-CB 4.49Å; R127-L167 HydrophobicContact CB-CD1 3.66Å; R127-L167 WeakPolarHBondContact O-CD1 3.41Å; V132-L167 HydrophobicContact CG1-CD1 3.91Å; L167-F206 HydrophobicContact CD2-CD2 4.06Å; L167-F206 HydrophobicContact CD2-CE2 4Å | ||
| 168 | G | 80.3 | Confident | 84.4 | Confident | 7 Ų | 7 | 51.7 Ų | 51.7 | 7% | 0.072 | 27% | 0.27 | C | S | . | . | trans | 80 | -169.5 | -172 | 0 | 0 | 0 | 0 | 0 | 112.8 | F123 R127 S166 G204 | F123-G168 WeakPolarHBondContact CZ-O 3.47Å; R127-G168 PolarHBondContact NH1-O 2.94Å; S166-G168 PolarHBondContact O-N 3.24Å; S166-G168 PolarHBondContact OG-N 3.48Å; G168-G204 CarbonylContact C-O 3.58Å; G168-G204 VanDerWaalsContact CA-O 3.32Å; G168-G204 WeakPolarHBondContact CA-O 3.45Å | ||
| 169 | N | 80 | Confident | 84.7 | Confident | 135 Ų | 135 | 46.3 Ų | 46.3 | 72% | 0.722 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -113.5 | 1.2 | -170.5 | -75.1 | -14.9 | 0 | 0 | 0 | 114.6 | R127 G204 | R127-N169 PolarHBondContact NH1-OD1 2.66Å; N169-G204 PolarHBondContact N-O 2.83Å |
| 170 | S | 80.8 | Confident | 84.9 | Confident | 36 Ų | 36 | 48.5 Ų | 48.5 | 25% | 0.252 | 25% | 0.252 | S | S | . | . | trans | -131.6 | 149.8 | 167.2 | 100.3 | 0 | 0 | 0 | 0 | 111.5 | Y202 G204 | S170-Y202 WeakPolarHBondContact O-CE2 3.28Å; S170-G204 WeakPolarHBondContact OG-CA 3.31Å; S170-G204 PolarHBondContact OG-N 2.71Å | ||
| 171 | L | 81.9 | Confident | 84.7 | Confident | 13 Ų | 13 | 50.4 Ų | 50.4 | 7% | 0.068 | 26% | 0.259 | C | S | . | . | trans | -71 | 165.7 | 160.3 | 67.9 | 164.1 | 0 | 0 | 0 | 111.8 | F10 F119 L120 F123 | F10-L171 HydrophobicContact CE1-CB 3.86Å; F10-L171 HydrophobicContact CZ-CB 4.33Å; F119-L171 HydrophobicContact CB-CD1 3.55Å; L120-L171 HydrophobicContact CB-CD1 4.32Å; L120-L171 HydrophobicContact CB-CD2 3.95Å; L120-L171 HydrophobicContact CD1-CD2 3.69Å; L120-L171 HydrophobicContact CG-CD2 4.37Å; F123-L171 HydrophobicContact CD1-CB 4.39Å | ||
| 172 | P | 83.4 | Confident | 84 | Confident | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.019 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 142 | 155.7 | -14.2 | 30.3 | 0 | 0 | 0 | 110.3 | I7 F10 I200 Y202 | I7-P172 HydrophobicContact CG1-CG 4.28Å; I7-P172 HydrophobicContact CG2-CG 4.15Å; F10-P172 HydrophobicContact CD1-CG 4.15Å; P172-I200 HydrophobicContact CB-CD1 3.75Å; P172-I200 HydrophobicContact CB-CG1 3.97Å; P172-Y202 HydrophobicContact CB-CD2 4.14Å; P172-Y202 HydrophobicContact CG-CD2 3.72Å; P172-Y202 HydrophobicContact CG-CE2 4.44Å; P172-Y202 HydrophobicContact CG-CG 4.43Å |
| 173 | V | 85.4 | Confident | 83.7 | Confident | 58 Ų | 58 | 52.9 Ų | 52.9 | 35% | 0.352 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 128.3 | -179.7 | 180 | 0 | 0 | 0 | 0 | 108.8 | E201 | V173-E201 PolarHBondContact N-O 3.32Å; V173-E201 PolarHBondContact O-N 3.39Å |
| 174 | F | 87.7 | Confident | 82.9 | Confident | 28 Ų | 28 | 50.7 Ų | 50.7 | 12% | 0.123 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 113.8 | 172.7 | -58.3 | -72.9 | 0 | 0 | 0 | 108.8 | C11 C112 N116 F119 V198 D199 I200 | C11-F174 HydrophobicContact CB-CZ 4.31Å; C112-F174 HydrophobicContact CB-CB 3.67Å; N116-F174 PolarHBondContact ND2-O 3.16Å; N116-F174 PolarHBondContact OD1-N 2.93Å; F119-F174 HydrophobicContact CD2-CD2 4.1Å; F119-F174 AromaticContact CD2-CE2 3.87Å; F119-F174 HydrophobicContact CD2-CE2 3.87Å; F119-F174 AromaticContact CE2-CD2 3.82Å; F119-F174 HydrophobicContact CE2-CD2 3.82Å; F119-F174 AromaticContact CE2-CE2 3.54Å; F119-F174 HydrophobicContact CE2-CE2 3.54Å; F174-V198 HydrophobicContact CB-CG1 4.15Å; F174-V198 HydrophobicContact CD1-CG1 3.53Å; F174-V198 HydrophobicContact CE1-CG1 4.32Å; F174-V198 HydrophobicContact CG-CG1 4.19Å; F174-D199 CarbonylContact C-O 3.42Å; F174-D199 WeakPolarHBondContact CA-O 3.45Å; F174-I200 HydrophobicContact CD1-CB 4.33Å; F174-I200 HydrophobicContact CD1-CD1 4.39Å; F174-I200 HydrophobicContact CD1-CG1 4.19Å; F174-I200 HydrophobicContact CE1-CB 4.45Å; F174-I200 HydrophobicContact CE1-CD1 3.77Å; F174-I200 HydrophobicContact CE1-CG1 4.08Å; F174-I200 HydrophobicContact CZ-CD1 4.33Å |
| 175 | K | 88.1 | Confident | 82.5 | Confident | 108 Ų | 108 | 49.4 Ų | 49.4 | 47% | 0.47 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | -46.7 | -175.6 | -65.6 | -174.4 | 179.1 | 179.4 | 0 | 112.3 | D199 E201 | K175-D199 HydrophobicContact CB-CB 3.96Å; K175-D199 PolarHBondContact N-O 2.71Å; K175-E201 WeakPolarHBondContact CE-OE2 3.36Å; K175-E201 IonicContact NZ-OE2 2.76Å; K175-E201 PolarHBondContact NZ-OE2 2.93Å |
| 176 | S | 89.1 | Confident | 81.8 | Confident | 16 Ų | 16 | 50.2 Ų | 50.2 | 11% | 0.112 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 152.8 | -178.5 | 73.2 | 0 | 0 | 0 | 0 | 109.3 | E110 V198 D199 | E110-S176 CarbonylContact O-C 3.46Å; E110-S176 VanDerWaalsContact O-CA 3.29Å; E110-S176 WeakPolarHBondContact O-CA 3.4Å; S176-V198 WeakPolarHBondContact O-CA 3.34Å; S176-V198 VanDerWaalsContact O-CG1 3.28Å; S176-V198 WeakPolarHBondContact O-CG1 3.08Å; S176-D199 PolarHBondContact O-N 2.92Å; S176-D199 VanDerWaalsContact O-N 3.14Å; S176-D199 WeakPolarHBondContact OG-CB 3.35Å; S176-D199 PolarHBondContact OG-OD2 3.3Å |
| 177 | A | 89.1 | Confident | 81 | Confident | 13 Ų | 13 | 55 Ų | 55 | 11% | 0.107 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 149.4 | 156.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | E110 C112 E197 V198 | E110-A177 PolarHBondContact N-O 3.11Å; E110-A177 PolarHBondContact O-N 2.85Å; C112-A177 VanDerWaalsContact SG-CB 3.59Å; A177-E197 CarbonylContact C-O 2.97Å; A177-E197 WeakPolarHBondContact CA-O 3.37Å; A177-V198 HydrophobicContact CB-CG2 4.23Å |
| 178 | K | 89.3 | Confident | 80.5 | Confident | 83 Ų | 83 | 56.6 Ų | 56.6 | 36% | 0.361 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 123.5 | 175.3 | -179 | -179.3 | 178.8 | -177.5 | 0 | 109.5 | T109 I180 F196 E197 | T109-K178 HydrophobicContact CG2-CB 4.33Å; K178-I180 PolarHBondContact O-N 3.48Å; K178-F196 CarbonylContact O-C 3.47Å; K178-F196 VanDerWaalsContact O-CA 3.32Å; K178-F196 WeakPolarHBondContact O-CA 3.45Å; K178-E197 PolarHBondContact N-O 3.22Å; K178-E197 PolarHBondContact O-N 2.88Å |
| 179 | L | 87.9 | Confident | 80 | Confident | 12 Ų | 12 | 56.9 Ų | 56.9 | 6% | 0.063 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 124.4 | 167.2 | 179.1 | 63.4 | 0 | 0 | 0 | 109.6 | Y50 F51 K181 V183 L194 F196 | Y50-L179 HydrophobicContact CD1-CD2 3.97Å; Y50-L179 HydrophobicContact CE1-CB 4.39Å; Y50-L179 HydrophobicContact CE1-CD2 3.52Å; F51-L179 HydrophobicContact CD1-CD2 4.07Å; L179-K181 HydrophobicContact CG-CG 4.42Å; L179-V183 HydrophobicContact CD1-CG2 4.09Å; L179-V183 HydrophobicContact CD2-CG2 3.79Å; L179-V183 HydrophobicContact CG-CG2 4.13Å; L179-L194 HydrophobicContact CD1-CD2 4.22Å; L179-F196 HydrophobicContact CB-CD1 4.36Å; L179-F196 HydrophobicContact CB-CE1 4.31Å; L179-F196 HydrophobicContact CD1-CD1 4.34Å; L179-F196 HydrophobicContact CD1-CE1 3.98Å; L179-F196 HydrophobicContact CD1-CZ 4.27Å |
| 180 | I | 84.8 | Confident | 79.9 | Confident | 61 Ų | 61 | 53.1 Ų | 53.1 | 31% | 0.313 | 28% | 0.279 | S | S | . | . | trans | -78 | 127.4 | 172.3 | -66.8 | 164.9 | 0 | 0 | 0 | 107.5 | K178 N195 E197 | K178-I180 PolarHBondContact O-N 3.48Å; I180-N195 HydrophobicContact CB-CB 3.89Å; I180-N195 WeakPolarHBondContact CB-O 3.36Å; I180-N195 HydrophobicContact CD1-CB 4.03Å; I180-N195 HydrophobicContact CG1-CB 4.44Å; I180-N195 HydrophobicContact CG2-CB 4.48Å; I180-N195 PolarHBondContact N-O 2.76Å; I180-E197 HydrophobicContact CD1-CB 4.18Å; I180-E197 HydrophobicContact CG1-CB 4.3Å | ||
| 181 | K | 78.6 | Confident | 80 | Confident | 71 Ų | 71 | 52.8 Ų | 52.8 | 31% | 0.309 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -116.3 | 155.7 | -177.3 | -67 | -164.4 | 176 | -153 | 0 | 111.4 | Y50 F51 V53 L179 | Y50-K181 WeakPolarHBondContact O-CE 3.28Å; Y50-K181 PolarHBondContact O-NZ 3.27Å; F51-K181 WeakPolarHBondContact O-CE 3.23Å; F51-K181 PolarHBondContact O-NZ 2.71Å; V53-K181 VanDerWaalsContact O-CD 3.25Å; V53-K181 WeakPolarHBondContact O-CD 3.42Å; V53-K181 PolarHBondContact O-NZ 3.44Å; L179-K181 HydrophobicContact CG-CG 4.42Å |
| 182 | P | 70.9 | Confident | 80 | Confident | 125 Ų | 125 | 53.4 Ų | 53.4 | 81% | 0.812 | 28% | 0.278 | S | S | * | . | S | Bend | cis | -68.3 | 154.5 | -4.2 | 30.4 | -36.2 | 0 | 0 | 0 | 112.6 | ||
| 183 | V | 78.9 | Confident | 80.1 | Confident | 21 Ų | 21 | 55.1 Ų | 55.1 | 13% | 0.127 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -86.1 | 138.1 | 168.4 | -176.2 | 0 | 0 | 0 | 0 | 108 | F51 L179 L185 P191 L194 | F51-V183 HydrophobicContact CB-CB 4.42Å; F51-V183 HydrophobicContact CB-CG2 4.3Å; F51-V183 HydrophobicContact CD1-CG2 4.16Å; L179-V183 HydrophobicContact CD1-CG2 4.09Å; L179-V183 HydrophobicContact CD2-CG2 3.79Å; L179-V183 HydrophobicContact CG-CG2 4.13Å; V183-L185 HydrophobicContact CB-CD2 4.26Å; V183-L185 HydrophobicContact CG1-CD2 3.73Å; V183-P191 HydrophobicContact CG1-CB 3.71Å; V183-L194 HydrophobicContact CG1-CD2 3.9Å |
| 184 | Q | 71.9 | Confident | 80.3 | Confident | 114 Ų | 114 | 54.2 Ų | 54.2 | 53% | 0.533 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 118.4 | 169.9 | -71.5 | 175.6 | -21 | 0 | 0 | 108.6 | P191 E192 | Q184-P191 CarbonylContact O-C 3.55Å; Q184-P191 WeakPolarHBondContact O-CA 3.45Å; Q184-E192 HydrophobicContact CB-CB 4.45Å; Q184-E192 PolarHBondContact O-N 2.67Å |
| 185 | L | 77.6 | Confident | 80.5 | Confident | 53 Ų | 53 | 53.8 Ų | 53.8 | 28% | 0.277 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 140.7 | 178.7 | -55.5 | -178.8 | 0 | 0 | 0 | 109.6 | F51 V183 M190 P191 | F51-L185 HydrophobicContact CB-CD1 4.41Å; F51-L185 HydrophobicContact CB-CD2 4.38Å; F51-L185 HydrophobicContact CD2-CD2 3.84Å; F51-L185 HydrophobicContact CE2-CD2 4.45Å; F51-L185 HydrophobicContact CG-CD2 4.25Å; V183-L185 HydrophobicContact CB-CD2 4.26Å; V183-L185 HydrophobicContact CG1-CD2 3.73Å; L185-M190 CarbonylContact C-O 3.52Å; L185-M190 VanDerWaalsContact CA-O 3.3Å; L185-M190 WeakPolarHBondContact CA-O 3.39Å; L185-P191 HydrophobicContact CD2-CB 4Å |
| 186 | D | 70.7 | Confident | 80.6 | Confident | 36 Ų | 36 | 50.9 Ų | 50.9 | 19% | 0.193 | 27% | 0.265 | C | S | . | . | trans | -78.7 | -178.3 | 170.5 | 60.8 | 29.8 | 0 | 0 | 0 | 112.1 | D188 G189 M190 E192 R239 | D186-D188 PolarHBondContact O-N 2.81Å; D186-D188 PolarHBondContact OD1-N 3.47Å; D186-G189 WeakPolarHBondContact O-CA 3.36Å; D186-G189 PolarHBondContact O-N 2.81Å; D186-G189 PolarHBondContact OD1-N 2.73Å; D186-M190 VanDerWaalsContact CG-O 3.26Å; D186-M190 PolarHBondContact N-O 3.45Å; D186-M190 WeakPolarHBondContact OD1-CA 3.46Å; D186-M190 WeakPolarHBondContact OD1-CB 3.35Å; D186-M190 PolarHBondContact OD1-N 3.45Å; D186-E192 HydrophobicContact CB-CG 4.17Å; D186-R239 IonicContact OD2-NH1 3.82Å; D186-R239 PolarHBondContact OD2-NH1 2.83Å | ||
| 187 | E | 66.6 | Low | 80.7 | Confident | 138 Ų | 138 | 52.2 Ų | 52.2 | 65% | 0.645 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -19.7 | -176.1 | -58 | -155.7 | 120.8 | 0 | 0 | 113.9 | G189 K738 | E187-G189 VanDerWaalsContact C-N 3.3Å; E187-K738 HydrophobicContact CG-CD 4.14Å; E187-K738 VanDerWaalsContact OE1-CD 3.31Å; E187-K738 WeakPolarHBondContact OE1-CD 3.27Å; E187-K738 WeakPolarHBondContact OE1-CE 3.26Å; E187-K738 IonicContact OE1-NZ 3.42Å; E187-K738 PolarHBondContact OE1-NZ 2.94Å |
| 188 | D | 67.6 | Low | 80.7 | Confident | 57 Ų | 57 | 52.2 Ų | 52.2 | 31% | 0.305 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -4.3 | 173.7 | -61.5 | -69.8 | 0 | 0 | 0 | 112.7 | K40 P43 D186 M190 | K40-D188 WeakPolarHBondContact CD-OD1 3.2Å; K40-D188 VanDerWaalsContact CE-CG 3.42Å; K40-D188 VanDerWaalsContact CE-OD1 3.22Å; K40-D188 WeakPolarHBondContact CE-OD1 3.27Å; K40-D188 WeakPolarHBondContact CE-OD2 3.21Å; K40-D188 IonicContact NZ-OD1 2.68Å; K40-D188 PolarHBondContact NZ-OD1 2.85Å; K40-D188 IonicContact NZ-OD2 3.75Å; K40-D188 PolarHBondContact NZ-OD2 3.09Å; P43-D188 WeakPolarHBondContact CD-O 3.35Å; D186-D188 PolarHBondContact O-N 2.81Å; D186-D188 PolarHBondContact OD1-N 3.47Å; D188-M190 HydrophobicContact CB-CG 4.45Å |
| 189 | G | 68.9 | Low | 80.8 | Confident | 14 Ų | 14 | 51.1 Ų | 51.1 | 14% | 0.144 | 27% | 0.267 | C | S | . | . | S | Bend | trans | 79.2 | 16 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | P43 D186 E187 | P43-G189 WeakPolarHBondContact CG-O 3.03Å; D186-G189 WeakPolarHBondContact O-CA 3.36Å; D186-G189 PolarHBondContact O-N 2.81Å; D186-G189 PolarHBondContact OD1-N 2.73Å; E187-G189 VanDerWaalsContact C-N 3.3Å |
| 190 | M | 79.4 | Confident | 80.8 | Confident | 56 Ų | 56 | 50.7 Ų | 50.7 | 28% | 0.276 | 27% | 0.265 | S | S | . | . | trans | -89.4 | 144.3 | 178.3 | -70.9 | -73.7 | -79 | 0 | 0 | 110.9 | V41 P43 L185 D186 D188 | V41-M190 HydrophobicContact CB-CE 4.18Å; V41-M190 HydrophobicContact CG1-CE 3.69Å; V41-M190 HydrophobicContact CG1-SD 4.31Å; V41-M190 WeakPolarHBondContact O-CG 3.36Å; P43-M190 HydrophobicContact CB-SD 4.01Å; P43-M190 HydrophobicContact CG-CG 3.98Å; P43-M190 HydrophobicContact CG-SD 3.58Å; P43-M190 VanDerWaalsContact CG-SD 3.58Å; L185-M190 CarbonylContact C-O 3.52Å; L185-M190 VanDerWaalsContact CA-O 3.3Å; L185-M190 WeakPolarHBondContact CA-O 3.39Å; D186-M190 VanDerWaalsContact CG-O 3.26Å; D186-M190 PolarHBondContact N-O 3.45Å; D186-M190 WeakPolarHBondContact OD1-CA 3.46Å; D186-M190 WeakPolarHBondContact OD1-CB 3.35Å; D186-M190 PolarHBondContact OD1-N 3.45Å; D188-M190 HydrophobicContact CB-CG 4.45Å | ||
| 191 | P | 82 | Confident | 81 | Confident | 28 Ų | 28 | 49 Ų | 49 | 18% | 0.182 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 125.6 | -172.7 | 30.8 | -35.5 | 0 | 0 | 0 | 113.7 | F51 V183 Q184 L185 L194 | F51-P191 HydrophobicContact CE2-CG 4.26Å; F51-P191 HydrophobicContact CZ-CG 4.05Å; V183-P191 HydrophobicContact CG1-CB 3.71Å; Q184-P191 CarbonylContact O-C 3.55Å; Q184-P191 WeakPolarHBondContact O-CA 3.45Å; L185-P191 HydrophobicContact CD2-CB 4Å; P191-L194 HydrophobicContact CB-CD1 4.44Å; P191-L194 HydrophobicContact CB-CD2 3.64Å; P191-L194 HydrophobicContact CB-CG 3.86Å; P191-L194 HydrophobicContact CG-CD1 4.03Å; P191-L194 HydrophobicContact CG-CD2 3.97Å; P191-L194 HydrophobicContact CG-CG 4.01Å |
| 192 | E | 81.3 | Confident | 81.4 | Confident | 27 Ų | 27 | 46 Ų | 46 | 13% | 0.126 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | -37 | 175.2 | -62.3 | -162.8 | 118.4 | 0 | 0 | 112.9 | Q184 D186 T238 R239 H739 | Q184-E192 HydrophobicContact CB-CB 4.45Å; Q184-E192 PolarHBondContact O-N 2.67Å; D186-E192 HydrophobicContact CB-CG 4.17Å; E192-T238 WeakPolarHBondContact O-CA 3.48Å; E192-T238 PolarHBondContact O-OG1 3.38Å; E192-R239 PolarHBondContact O-N 2.93Å; E192-H739 IonicContact OE1-CD2 3.67Å; E192-H739 PolarHBondContact OE1-CD2 2.87Å; E192-H739 IonicContact OE2-CD2 3.15Å |
| 193 | E | 86.5 | Confident | 82.2 | Confident | 39 Ų | 39 | 44.2 Ų | 44.2 | 18% | 0.182 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 126.5 | 173.4 | -173.5 | 179.3 | 179.6 | 0 | 0 | 111.1 | N195 R234 Q236 F237 | E193-N195 WeakPolarHBondContact CG-ND2 3.19Å; E193-N195 PolarHBondContact OE1-ND2 2.96Å; E193-N195 PolarHBondContact OE1-OD1 3.13Å; E193-R234 IonicContact OE1-NH2 3.19Å; E193-R234 PolarHBondContact OE1-NH2 3.46Å; E193-Q236 HydrophobicContact CG-CG 4.5Å; E193-Q236 WeakPolarHBondContact OE1-CG 3.5Å; E193-Q236 PolarHBondContact OE1-NE2 3.29Å; E193-F237 CarbonylContact C-O 3.59Å; E193-F237 WeakPolarHBondContact CA-O 3.49Å |
| 194 | L | 89.9 | Confident | 82 | Confident | 38 Ų | 38 | 43.7 Ų | 43.7 | 20% | 0.199 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 127.6 | 171.1 | -67.9 | 173.8 | 0 | 0 | 0 | 110.1 | F51 L179 V183 P191 F196 Q236 F237 | F51-L194 HydrophobicContact CE1-CD2 4.08Å; L179-L194 HydrophobicContact CD1-CD2 4.22Å; V183-L194 HydrophobicContact CG1-CD2 3.9Å; P191-L194 HydrophobicContact CB-CD1 4.44Å; P191-L194 HydrophobicContact CB-CD2 3.64Å; P191-L194 HydrophobicContact CB-CG 3.86Å; P191-L194 HydrophobicContact CG-CD1 4.03Å; P191-L194 HydrophobicContact CG-CD2 3.97Å; P191-L194 HydrophobicContact CG-CG 4.01Å; L194-F196 HydrophobicContact CB-CE2 3.92Å; L194-F196 HydrophobicContact CB-CZ 4.41Å; L194-Q236 CarbonylContact O-C 3.51Å; L194-Q236 WeakPolarHBondContact O-CA 3.27Å; L194-F237 HydrophobicContact CB-CB 4.41Å; L194-F237 PolarHBondContact N-O 3.43Å; L194-F237 PolarHBondContact O-N 3.03Å |
| 195 | N | 90.6 | Very high | 82.3 | Confident | 19 Ų | 19 | 38.8 Ų | 38.8 | 10% | 0.102 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 123.3 | -179.8 | -78.7 | -63.8 | 0 | 0 | 0 | 110.9 | I180 E193 R234 Q236 | I180-N195 HydrophobicContact CB-CB 3.89Å; I180-N195 WeakPolarHBondContact CB-O 3.36Å; I180-N195 HydrophobicContact CD1-CB 4.03Å; I180-N195 HydrophobicContact CG1-CB 4.44Å; I180-N195 HydrophobicContact CG2-CB 4.48Å; I180-N195 PolarHBondContact N-O 2.76Å; E193-N195 WeakPolarHBondContact CG-ND2 3.19Å; E193-N195 PolarHBondContact OE1-ND2 2.96Å; E193-N195 PolarHBondContact OE1-OD1 3.13Å; N195-R234 PolarHBondContact ND2-NH2 3.24Å; N195-R234 PolarHBondContact OD1-NE 3.24Å; N195-R234 PolarHBondContact OD1-NH2 3.21Å; N195-Q236 WeakPolarHBondContact OD1-CG 3.32Å |
| 196 | F | 90 | Very high | 82.6 | Confident | 47 Ų | 47 | 36.6 Ų | 36.6 | 21% | 0.206 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 126.3 | 176.3 | -56.2 | -89.9 | 0 | 0 | 0 | 110.2 | K178 L179 L194 V198 R234 L235 F237 | K178-F196 CarbonylContact O-C 3.47Å; K178-F196 VanDerWaalsContact O-CA 3.32Å; K178-F196 WeakPolarHBondContact O-CA 3.45Å; L179-F196 HydrophobicContact CB-CD1 4.36Å; L179-F196 HydrophobicContact CB-CE1 4.31Å; L179-F196 HydrophobicContact CD1-CD1 4.34Å; L179-F196 HydrophobicContact CD1-CE1 3.98Å; L179-F196 HydrophobicContact CD1-CZ 4.27Å; L194-F196 HydrophobicContact CB-CE2 3.92Å; L194-F196 HydrophobicContact CB-CZ 4.41Å; F196-V198 HydrophobicContact CB-CG2 3.94Å; F196-R234 CarbonylContact O-C 3.1Å; F196-R234 WeakPolarHBondContact O-CA 3.28Å; F196-L235 HydrophobicContact CB-CB 4.38Å; F196-L235 PolarHBondContact N-O 3.14Å; F196-L235 PolarHBondContact O-N 3.31Å; F196-F237 HydrophobicContact CD2-CD2 4.35Å; F196-F237 HydrophobicContact CD2-CE2 4.22Å; F196-F237 HydrophobicContact CE2-CD2 4.09Å; F196-F237 HydrophobicContact CE2-CE2 4.07Å |
| 197 | E | 92.1 | Very high | 83.4 | Confident | 45 Ų | 45 | 37 Ų | 37 | 21% | 0.21 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 127.2 | 162 | -178.7 | 169.6 | -169 | 0 | 0 | 108.5 | A177 K178 I180 R232 L233 L250 | A177-E197 CarbonylContact C-O 2.97Å; A177-E197 WeakPolarHBondContact CA-O 3.37Å; K178-E197 PolarHBondContact N-O 3.22Å; K178-E197 PolarHBondContact O-N 2.88Å; I180-E197 HydrophobicContact CD1-CB 4.18Å; I180-E197 HydrophobicContact CG1-CB 4.3Å; E197-R232 WeakPolarHBondContact OE1-CD 3.03Å; E197-R232 IonicContact OE1-CZ 3.7Å; E197-R232 IonicContact OE1-NE 3.41Å; E197-R232 IonicContact OE1-NH1 3.49Å; E197-R232 PolarHBondContact OE1-NH1 2.72Å; E197-L233 CarbonylContact C-O 3.59Å; E197-L233 WeakPolarHBondContact CA-O 3.4Å; E197-L250 HydrophobicContact CG-CD1 3.85Å; E197-L250 WeakPolarHBondContact OE1-CD1 3.47Å |
| 198 | V | 89.4 | Confident | 84.4 | Confident | 13 Ų | 13 | 30.4 Ų | 30.4 | 8% | 0.079 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 119.4 | -172.2 | -171.4 | 0 | 0 | 0 | 0 | 110.4 | F174 S176 A177 F196 I200 L233 | F174-V198 HydrophobicContact CB-CG1 4.15Å; F174-V198 HydrophobicContact CD1-CG1 3.53Å; F174-V198 HydrophobicContact CE1-CG1 4.32Å; F174-V198 HydrophobicContact CG-CG1 4.19Å; S176-V198 WeakPolarHBondContact O-CA 3.34Å; S176-V198 VanDerWaalsContact O-CG1 3.28Å; S176-V198 WeakPolarHBondContact O-CG1 3.08Å; A177-V198 HydrophobicContact CB-CG2 4.23Å; F196-V198 HydrophobicContact CB-CG2 3.94Å; V198-I200 PolarHBondContact O-N 3.45Å; V198-L233 HydrophobicContact CB-CB 4.44Å; V198-L233 PolarHBondContact N-O 2.72Å; V198-L233 PolarHBondContact O-N 3.47Å |
| 199 | D | 90.6 | Very high | 85.4 | Confident | 59 Ų | 59 | 27.9 Ų | 27.9 | 32% | 0.316 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 118.8 | 174 | -78.4 | -44.8 | 0 | 0 | 0 | 110.7 | F174 K175 S176 | F174-D199 CarbonylContact C-O 3.42Å; F174-D199 WeakPolarHBondContact CA-O 3.45Å; K175-D199 HydrophobicContact CB-CB 3.96Å; K175-D199 PolarHBondContact N-O 2.71Å; S176-D199 PolarHBondContact O-N 2.92Å; S176-D199 VanDerWaalsContact O-N 3.14Å; S176-D199 WeakPolarHBondContact OG-CB 3.35Å; S176-D199 PolarHBondContact OG-OD2 3.3Å |
| 200 | I | 88.1 | Confident | 86.4 | Confident | 4 Ų | 4 | 27.6 Ų | 27.6 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 131.2 | 175.1 | -164.6 | 174 | 0 | 0 | 0 | 111.4 | I7 P172 F174 V198 V230 G231 L233 F249 | I7-I200 HydrophobicContact CG2-CD1 3.86Å; P172-I200 HydrophobicContact CB-CD1 3.75Å; P172-I200 HydrophobicContact CB-CG1 3.97Å; F174-I200 HydrophobicContact CD1-CB 4.33Å; F174-I200 HydrophobicContact CD1-CD1 4.39Å; F174-I200 HydrophobicContact CD1-CG1 4.19Å; F174-I200 HydrophobicContact CE1-CB 4.45Å; F174-I200 HydrophobicContact CE1-CD1 3.77Å; F174-I200 HydrophobicContact CE1-CG1 4.08Å; F174-I200 HydrophobicContact CZ-CD1 4.33Å; V198-I200 PolarHBondContact O-N 3.45Å; I200-V230 WeakPolarHBondContact O-CA 3.33Å; I200-G231 WeakPolarHBondContact CG2-O 3.3Å; I200-G231 PolarHBondContact N-O 3.1Å; I200-G231 PolarHBondContact O-N 3.36Å; I200-L233 HydrophobicContact CB-CD1 4.08Å; I200-L233 HydrophobicContact CD1-CD1 3.96Å; I200-L233 HydrophobicContact CG2-CD1 3.8Å; I200-L233 HydrophobicContact CG2-CG 3.88Å; I200-F249 HydrophobicContact CG2-CE1 3.89Å |
| 201 | E | 89.6 | Confident | 86.8 | Confident | 26 Ų | 26 | 26.1 Ų | 26.1 | 12% | 0.121 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 131 | 165.8 | 173.2 | 154.8 | -155.6 | 0 | 0 | 111.1 | V173 K175 N203 R228 V229 V230 | V173-E201 PolarHBondContact N-O 3.32Å; V173-E201 PolarHBondContact O-N 3.39Å; K175-E201 WeakPolarHBondContact CE-OE2 3.36Å; K175-E201 IonicContact NZ-OE2 2.76Å; K175-E201 PolarHBondContact NZ-OE2 2.93Å; E201-N203 WeakPolarHBondContact CG-ND2 3.2Å; E201-N203 PolarHBondContact OE1-ND2 2.65Å; E201-R228 IonicContact OE1-CZ 3.88Å; E201-R228 IonicContact OE1-NE 3.57Å; E201-R228 PolarHBondContact OE1-NE 2.8Å; E201-R228 IonicContact OE1-NH2 3.75Å; E201-R228 PolarHBondContact OE1-NH2 2.8Å; E201-R228 IonicContact OE2-NH2 2.7Å; E201-V229 CarbonylContact C-O 3.52Å; E201-V229 WeakPolarHBondContact CA-O 3.45Å; E201-V230 HydrophobicContact CB-CG2 4.17Å; E201-V230 HydrophobicContact CG-CG2 3.88Å |
| 202 | Y | 86.8 | Confident | 86.9 | Confident | 8 Ų | 8 | 24.9 Ų | 24.9 | 3% | 0.031 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 130.6 | 177 | 171.7 | -99.8 | 0 | 0 | 0 | 110.2 | I7 S170 P172 G204 G205 F206 M226 R228 V229 | I7-Y202 HydrophobicContact CD1-CD1 3.96Å; I7-Y202 HydrophobicContact CD1-CG 3.9Å; S170-Y202 WeakPolarHBondContact O-CE2 3.28Å; P172-Y202 HydrophobicContact CB-CD2 4.14Å; P172-Y202 HydrophobicContact CG-CD2 3.72Å; P172-Y202 HydrophobicContact CG-CE2 4.44Å; P172-Y202 HydrophobicContact CG-CG 4.43Å; Y202-G204 VanDerWaalsContact CZ-CA 3.46Å; Y202-G204 VanDerWaalsContact CZ-N 3.31Å; Y202-G204 VanDerWaalsContact OH-CA 3.31Å; Y202-G204 WeakPolarHBondContact OH-CA 3.13Å; Y202-G205 PolarHBondContact OH-N 2.8Å; Y202-F206 WeakPolarHBondContact OH-CB 3.09Å; Y202-F206 PolarHBondContact OH-N 3.15Å; Y202-M226 HydrophobicContact CD1-CG 4.16Å; Y202-M226 HydrophobicContact CD1-SD 4.08Å; Y202-M226 HydrophobicContact CE1-CG 3.95Å; Y202-M226 HydrophobicContact CE1-SD 4.04Å; Y202-R228 CarbonylContact O-C 3.59Å; Y202-R228 VanDerWaalsContact O-CA 3.25Å; Y202-R228 WeakPolarHBondContact O-CA 3.42Å; Y202-V229 HydrophobicContact CD1-CG2 4.49Å; Y202-V229 PolarHBondContact N-O 2.86Å; Y202-V229 PolarHBondContact O-N 3.26Å |
| 203 | N | 87.3 | Confident | 87.1 | Confident | 87 Ų | 87 | 26.3 Ų | 26.3 | 47% | 0.465 | 14% | 0.139 | S | C | . | . | trans | -134.2 | 24.4 | 178.6 | -70.8 | -58.2 | 0 | 0 | 0 | 112.6 | E201 G205 R227 R228 | E201-N203 WeakPolarHBondContact CG-ND2 3.2Å; E201-N203 PolarHBondContact OE1-ND2 2.65Å; N203-G205 PolarHBondContact O-N 2.82Å; N203-R227 WeakPolarHBondContact CA-O 3.21Å; N203-R228 WeakPolarHBondContact OD1-CD 3.38Å; N203-R228 VanDerWaalsContact OD1-CG 3.25Å; N203-R228 WeakPolarHBondContact OD1-CG 3.36Å; N203-R228 PolarHBondContact OD1-NE 2.93Å | ||
| 204 | G | 74.9 | Confident | 86.9 | Confident | 9 Ų | 9 | 25.9 Ų | 25.9 | 9% | 0.093 | 14% | 0.137 | C | C | . | . | trans | -83.2 | -10.7 | -163.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | G168 N169 S170 Y202 F206 | G168-G204 CarbonylContact C-O 3.58Å; G168-G204 VanDerWaalsContact CA-O 3.32Å; G168-G204 WeakPolarHBondContact CA-O 3.45Å; N169-G204 PolarHBondContact N-O 2.83Å; S170-G204 WeakPolarHBondContact OG-CA 3.31Å; S170-G204 PolarHBondContact OG-N 2.71Å; Y202-G204 VanDerWaalsContact CZ-CA 3.46Å; Y202-G204 VanDerWaalsContact CZ-N 3.31Å; Y202-G204 VanDerWaalsContact OH-CA 3.31Å; Y202-G204 WeakPolarHBondContact OH-CA 3.13Å; G204-F206 PolarHBondContact O-N 2.93Å | ||
| 205 | G | 78.1 | Confident | 86.1 | Confident | 12 Ų | 12 | 27.5 Ų | 27.5 | 12% | 0.124 | 15% | 0.148 | C | C | . | . | trans | 71.8 | 24.1 | 176 | 0 | 0 | 0 | 0 | 0 | 116 | Y202 N203 H207 K225 M226 | Y202-G205 PolarHBondContact OH-N 2.8Å; N203-G205 PolarHBondContact O-N 2.82Å; G205-H207 PolarHBondContact O-ND1 3.42Å; G205-H207 VanDerWaalsContact O-ND1 3.09Å; G205-K225 WeakPolarHBondContact O-CE 3.45Å; G205-M226 WeakPolarHBondContact CA-O 3.18Å | ||
| 206 | F | 83.6 | Confident | 85.3 | Confident | 7 Ų | 7 | 35 Ų | 35 | 3% | 0.031 | 18% | 0.181 | C | C | . | . | trans | -44.8 | 138.4 | 170.4 | 174.8 | -70.1 | 0 | 0 | 0 | 110.2 | Y3 L6 I165 S166 L167 Y202 G204 L208 K225 M226 | Y3-F206 AromaticContact CD1-CD1 3.36Å; Y3-F206 HydrophobicContact CD1-CD1 3.36Å; Y3-F206 AromaticContact CD1-CE1 3.82Å; Y3-F206 HydrophobicContact CD1-CE1 3.82Å; Y3-F206 HydrophobicContact CD1-CG 4.39Å; Y3-F206 AromaticContact CE1-CD1 3.22Å; Y3-F206 HydrophobicContact CE1-CD1 3.22Å; Y3-F206 AromaticContact CE1-CE1 3.58Å; Y3-F206 HydrophobicContact CE1-CE1 3.58Å; Y3-F206 HydrophobicContact CE1-CG 4.43Å; Y3-F206 HydrophobicContact CE2-CE1 4.25Å; Y3-F206 HydrophobicContact CG-CD1 4.24Å; Y3-F206 HydrophobicContact CG-CE1 4.34Å; Y3-F206 AromaticContact CZ-CD1 3.84Å; Y3-F206 AromaticContact CZ-CE1 3.69Å; L6-F206 HydrophobicContact CD1-CD2 4.13Å; L6-F206 HydrophobicContact CD1-CE1 3.82Å; L6-F206 HydrophobicContact CD1-CE2 3.27Å; L6-F206 HydrophobicContact CD1-CZ 3.11Å; L6-F206 HydrophobicContact CD2-CD2 3.69Å; L6-F206 HydrophobicContact CD2-CE2 3.32Å; L6-F206 HydrophobicContact CD2-CZ 4.14Å; L6-F206 HydrophobicContact CG-CD2 4.33Å; L6-F206 HydrophobicContact CG-CE2 3.8Å; L6-F206 HydrophobicContact CG-CZ 4.13Å; I165-F206 HydrophobicContact CD1-CE2 4.35Å; I165-F206 HydrophobicContact CD1-CZ 4.26Å; I165-F206 HydrophobicContact CG1-CE2 4.02Å; I165-F206 HydrophobicContact CG1-CZ 3.72Å; S166-F206 WeakPolarHBondContact O-CA 3.15Å; S166-F206 WeakPolarHBondContact O-CD2 3.34Å; S166-F206 VanDerWaalsContact O-CE2 3.3Å; S166-F206 WeakPolarHBondContact O-CE2 3.47Å; S166-F206 WeakPolarHBondContact O-CG 3.18Å; L167-F206 HydrophobicContact CD2-CD2 4.06Å; L167-F206 HydrophobicContact CD2-CE2 4Å; Y202-F206 WeakPolarHBondContact OH-CB 3.09Å; Y202-F206 PolarHBondContact OH-N 3.15Å; G204-F206 PolarHBondContact O-N 2.93Å; F206-L208 HydrophobicContact CE1-CB 4.28Å; F206-L208 HydrophobicContact CE1-CD1 4.38Å; F206-L208 HydrophobicContact CZ-CD1 4.18Å; F206-K225 WeakPolarHBondContact O-CA 3.17Å; F206-M226 PolarHBondContact O-N 2.87Å | ||
| 207 | H | 87.1 | Confident | 84.5 | Confident | 44 Ų | 44 | 36.2 Ų | 36.2 | 20% | 0.204 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 164.6 | 179 | 54.9 | -85.7 | 0 | 0 | 0 | 113.7 | Y3 S166 G205 F223 V224 K225 | Y3-H207 WeakPolarHBondContact OH-CA 3.29Å; S166-H207 WeakPolarHBondContact CB-CE1 3.32Å; S166-H207 VanDerWaalsContact CB-NE2 3.29Å; S166-H207 WeakPolarHBondContact CB-NE2 3.39Å; S166-H207 PolarHBondContact N-O 2.81Å; S166-H207 PolarHBondContact O-N 3.3Å; S166-H207 PolarHBondContact OG-CE1 3.03Å; G205-H207 PolarHBondContact O-ND1 3.42Å; G205-H207 VanDerWaalsContact O-ND1 3.09Å; H207-F223 HydrophobicContact CB-CE1 4.39Å; H207-F223 HydrophobicContact CB-CE2 4Å; H207-F223 HydrophobicContact CB-CZ 3.66Å; H207-F223 AromaticContact CD2-CE2 3.61Å; H207-F223 AromaticContact CD2-CZ 3.82Å; H207-F223 AromaticContact CG-CZ 3.86Å; H207-V224 WeakPolarHBondContact CA-O 3.49Å; H207-V224 VanDerWaalsContact CB-O 3.23Å; H207-V224 WeakPolarHBondContact CB-O 3.43Å; H207-K225 HydrophobicContact CB-CB 3.87Å; H207-K225 HydrophobicContact CB-CD 4.43Å; H207-K225 HydrophobicContact CB-CG 4.07Å |
| 208 | L | 87.6 | Confident | 84 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 130.1 | -170.2 | -159.7 | 82.1 | 0 | 0 | 0 | 109.2 | I2 Y3 I140 F144 L162 D164 I165 F206 I210 F223 V224 | I2-L208 HydrophobicContact CB-CD2 3.99Å; I2-L208 HydrophobicContact CD1-CD2 4.33Å; I2-L208 HydrophobicContact CG1-CD2 3.81Å; I2-L208 HydrophobicContact CG2-CD1 3.84Å; I2-L208 HydrophobicContact CG2-CD2 3.51Å; I2-L208 HydrophobicContact CG2-CG 4.28Å; Y3-L208 HydrophobicContact CE2-CB 4.02Å; Y3-L208 HydrophobicContact CE2-CD2 4.18Å; Y3-L208 WeakPolarHBondContact OH-CB 3.1Å; Y3-L208 PolarHBondContact OH-N 3.03Å; I140-L208 HydrophobicContact CD1-CD1 3.96Å; F144-L208 HydrophobicContact CE1-CD2 4.41Å; F144-L208 HydrophobicContact CZ-CD2 4.15Å; L162-L208 HydrophobicContact CD1-CD1 3.38Å; L162-L208 HydrophobicContact CD1-CD2 4.27Å; L162-L208 HydrophobicContact CD1-CG 3.61Å; D164-L208 WeakPolarHBondContact O-CA 3.27Å; I165-L208 HydrophobicContact CB-CD1 4.03Å; I165-L208 HydrophobicContact CG1-CD1 3.9Å; F206-L208 HydrophobicContact CE1-CB 4.28Å; F206-L208 HydrophobicContact CE1-CD1 4.38Å; F206-L208 HydrophobicContact CZ-CD1 4.18Å; L208-I210 HydrophobicContact CD2-CD1 3.71Å; L208-I210 HydrophobicContact CD2-CG1 3.66Å; L208-I210 HydrophobicContact CG-CG1 4.14Å; L208-F223 WeakPolarHBondContact O-CA 3.49Å; L208-V224 PolarHBondContact N-O 2.88Å; L208-V224 PolarHBondContact O-N 3.48Å |
| 209 | A | 89.8 | Confident | 83.7 | Confident | 4 Ų | 4 | 41.4 Ų | 41.4 | 3% | 0.033 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 116.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | R163 D164 Y221 | R163-A209 HydrophobicContact CB-CB 4.1Å; R163-A209 WeakPolarHBondContact CB-O 3.47Å; R163-A209 PolarHBondContact N-O 2.92Å; D164-A209 HydrophobicContact CB-CB 3.9Å; D164-A209 PolarHBondContact N-O 2.9Å; D164-A209 PolarHBondContact O-N 3.21Å; A209-Y221 HydrophobicContact CB-CE2 3.88Å; A209-Y221 WeakPolarHBondContact CB-OH 2.87Å |
| 210 | I | 88.9 | Confident | 83.4 | Confident | 7 Ų | 7 | 38.7 Ų | 38.7 | 4% | 0.036 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 136.8 | 179 | -33.4 | -178.7 | 0 | 0 | 0 | 108.5 | F144 L160 S161 L208 V212 L222 | F144-I210 HydrophobicContact CE1-CD1 3.89Å; F144-I210 HydrophobicContact CE1-CG2 4.32Å; F144-I210 HydrophobicContact CE2-CG2 4.01Å; F144-I210 HydrophobicContact CZ-CB 4.47Å; F144-I210 HydrophobicContact CZ-CD1 3.87Å; F144-I210 HydrophobicContact CZ-CG1 4.1Å; F144-I210 HydrophobicContact CZ-CG2 3.59Å; L160-I210 HydrophobicContact CD2-CG2 4.07Å; S161-I210 WeakPolarHBondContact O-CA 3.36Å; S161-I210 WeakPolarHBondContact O-CG2 3.14Å; L208-I210 HydrophobicContact CD2-CD1 3.71Å; L208-I210 HydrophobicContact CD2-CG1 3.66Å; L208-I210 HydrophobicContact CG-CG1 4.14Å; I210-V212 HydrophobicContact CB-CG2 4.22Å; I210-V212 HydrophobicContact CG2-CG2 4.11Å; I210-L222 HydrophobicContact CB-CB 4.36Å; I210-L222 HydrophobicContact CD1-CD2 3.81Å; I210-L222 HydrophobicContact CG1-CD2 4.41Å; I210-L222 PolarHBondContact N-O 2.85Å; I210-L222 PolarHBondContact O-N 2.76Å |
| 211 | D | 88.3 | Confident | 83.5 | Confident | 25 Ų | 25 | 41.6 Ų | 41.6 | 13% | 0.134 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 131.5 | 159.1 | -65.7 | -57 | 0 | 0 | 0 | 108.6 | S161 R163 | S161-D211 PolarHBondContact N-O 3.43Å; S161-D211 PolarHBondContact O-N 2.68Å; S161-D211 WeakPolarHBondContact OG-CB 3.24Å; S161-D211 PolarHBondContact OG-O 2.67Å; R163-D211 IonicContact CZ-OD1 2.7Å; R163-D211 IonicContact CZ-OD2 2.82Å; R163-D211 IonicContact NE-OD1 2.73Å; R163-D211 PolarHBondContact NE-OD1 3.47Å; R163-D211 IonicContact NE-OD2 2.73Å; R163-D211 PolarHBondContact NE-OD2 3.28Å; R163-D211 IonicContact NH2-OD1 3.3Å; R163-D211 PolarHBondContact NH2-OD1 3.04Å; R163-D211 IonicContact NH2-OD2 3.02Å; R163-D211 PolarHBondContact NH2-OD2 2.68Å |
| 212 | V | 85.5 | Confident | 83.3 | Confident | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.018 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 106.6 | -167.3 | -178 | 0 | 0 | 0 | 0 | 108.2 | L157 L160 I210 L214 S219 A220 L222 | L157-V212 HydrophobicContact CD1-CG1 4.47Å; L157-V212 HydrophobicContact CD2-CG1 3.59Å; L157-V212 HydrophobicContact CG-CG1 4.49Å; L160-V212 HydrophobicContact CD2-CB 4.16Å; L160-V212 HydrophobicContact CD2-CG1 3.85Å; L160-V212 HydrophobicContact CD2-CG2 3.77Å; I210-V212 HydrophobicContact CB-CG2 4.22Å; I210-V212 HydrophobicContact CG2-CG2 4.11Å; V212-L214 HydrophobicContact CG1-CD2 4.13Å; V212-S219 CarbonylContact O-C 3.59Å; V212-S219 WeakPolarHBondContact O-CA 2.93Å; V212-A220 HydrophobicContact CB-CB 4.39Å; V212-A220 WeakPolarHBondContact CB-O 3.38Å; V212-A220 PolarHBondContact N-O 2.87Å; V212-A220 PolarHBondContact O-N 3.44Å; V212-L222 HydrophobicContact CG2-CB 3.77Å; V212-L222 HydrophobicContact CG2-CD2 4.44Å |
| 213 | D | 85.5 | Confident | 83.5 | Confident | 57 Ų | 57 | 42.1 Ų | 42.1 | 31% | 0.305 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 125.5 | -177.4 | -51.9 | -60.9 | 0 | 0 | 0 | 109 | L157 E158 G159 S219 | L157-D213 CarbonylContact C-O 3.54Å; L157-D213 WeakPolarHBondContact CA-O 3.24Å; E158-D213 PolarHBondContact N-O 3.14Å; G159-D213 PolarHBondContact N-O 2.89Å; G159-D213 PolarHBondContact O-N 3.46Å; D213-S219 WeakPolarHBondContact OD1-CB 3.39Å |
| 214 | L | 80.9 | Confident | 83.4 | Confident | 29 Ų | 29 | 38 Ų | 38 | 15% | 0.152 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 142.9 | -177.1 | -52.1 | 174.2 | 0 | 0 | 0 | 109.8 | L156 L157 V212 F216 G217 K218 A220 F263 | L156-L214 WeakPolarHBondContact O-CD2 3.43Å; L157-L214 HydrophobicContact CD2-CD2 3.72Å; V212-L214 HydrophobicContact CG1-CD2 4.13Å; L214-F216 CarbonylContact O-C 3.28Å; L214-F216 PolarHBondContact O-N 2.87Å; L214-G217 PolarHBondContact O-N 3.38Å; L214-K218 VanDerWaalsContact CB-O 3.23Å; L214-K218 WeakPolarHBondContact CB-O 3.14Å; L214-K218 WeakPolarHBondContact CG-O 3.43Å; L214-K218 PolarHBondContact N-O 3.32Å; L214-K218 PolarHBondContact O-N 2.84Å; L214-A220 HydrophobicContact CD1-CB 4.34Å; L214-F263 HydrophobicContact CD1-CD2 4.15Å; L214-F263 HydrophobicContact CD1-CE2 3.91Å |
| 215 | V | 73.2 | Confident | 84.1 | Confident | 72 Ų | 72 | 40.7 Ų | 40.7 | 44% | 0.436 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -0.2 | -175.6 | -174 | 0 | 0 | 0 | 0 | 115.2 | E158 | E158-V215 HydrophobicContact CB-CG2 4.12Å; E158-V215 WeakPolarHBondContact OE2-CA 3.33Å |
| 216 | F | 73.8 | Confident | 84.3 | Confident | 178 Ų | 178 | 40.1 Ų | 40.1 | 78% | 0.781 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | 20.3 | 172.3 | -57.1 | -73.4 | 0 | 0 | 0 | 112.8 | L214 K218 | L214-F216 CarbonylContact O-C 3.28Å; L214-F216 PolarHBondContact O-N 2.87Å; F216-K218 VanDerWaalsContact C-N 3.35Å; F216-K218 PolarHBondContact O-N 2.9Å |
| 217 | G | 72.9 | Confident | 84.5 | Confident | 71 Ų | 71 | 46.6 Ų | 46.6 | 73% | 0.732 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | 31.8 | -179 | 0 | 0 | 0 | 0 | 0 | 114 | L214 | L214-G217 PolarHBondContact O-N 3.38Š|
| 218 | K | 81.6 | Confident | 84.5 | Confident | 95 Ų | 95 | 49.3 Ų | 49.3 | 41% | 0.413 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 133.2 | -178 | -68 | -167.4 | 173.3 | -162 | 0 | 111.9 | L214 F216 F263 E264 | L214-K218 VanDerWaalsContact CB-O 3.23Å; L214-K218 WeakPolarHBondContact CB-O 3.14Å; L214-K218 WeakPolarHBondContact CG-O 3.43Å; L214-K218 PolarHBondContact N-O 3.32Å; L214-K218 PolarHBondContact O-N 2.84Å; F216-K218 VanDerWaalsContact C-N 3.35Å; F216-K218 PolarHBondContact O-N 2.9Å; K218-F263 HydrophobicContact CB-CE2 3.91Å; K218-F263 HydrophobicContact CB-CZ 4.31Å; K218-F263 HydrophobicContact CD-CE2 4.15Å; K218-F263 HydrophobicContact CD-CZ 3.69Å; K218-E264 WeakPolarHBondContact CE-OE1 3.4Å; K218-E264 IonicContact NZ-OE1 3.55Å; K218-E264 PolarHBondContact NZ-OE1 3.26Å |
| 219 | S | 83.3 | Confident | 84.4 | Confident | 73 Ų | 73 | 49.3 Ų | 49.3 | 51% | 0.51 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 147 | 176.5 | 56.1 | 0 | 0 | 0 | 0 | 112.8 | V212 D213 | V212-S219 CarbonylContact O-C 3.59Å; V212-S219 WeakPolarHBondContact O-CA 2.93Å; D213-S219 WeakPolarHBondContact OD1-CB 3.39Å |
| 220 | A | 85.5 | Confident | 84.5 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.008 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 130.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | V212 L214 F263 L271 | V212-A220 HydrophobicContact CB-CB 4.39Å; V212-A220 WeakPolarHBondContact CB-O 3.38Å; V212-A220 PolarHBondContact N-O 2.87Å; V212-A220 PolarHBondContact O-N 3.44Å; L214-A220 HydrophobicContact CD1-CB 4.34Å; A220-F263 HydrophobicContact CB-CB 4.44Å; A220-F263 HydrophobicContact CB-CD2 4.02Å; A220-L271 HydrophobicContact CB-CD2 4.34Å |
| 221 | Y | 88.5 | Confident | 84.5 | Confident | 65 Ų | 65 | 51.2 Ų | 51.2 | 26% | 0.255 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 134.6 | 172.2 | 178 | -109.1 | 0 | 0 | 0 | 110.1 | A209 F223 S261 Q262 | A209-Y221 HydrophobicContact CB-CE2 3.88Å; A209-Y221 WeakPolarHBondContact CB-OH 2.87Å; Y221-F223 HydrophobicContact CE1-CB 3.88Å; Y221-S261 CarbonylContact O-C 3.55Å; Y221-S261 WeakPolarHBondContact O-CA 3.36Å; Y221-Q262 HydrophobicContact CD1-CB 4.41Å; Y221-Q262 HydrophobicContact CD1-CG 4.49Å; Y221-Q262 PolarHBondContact N-O 3.37Å; Y221-Q262 PolarHBondContact O-N 3.38Å |
| 222 | L | 86.8 | Confident | 84.7 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 103 | 179.7 | -171.1 | 92.4 | 0 | 0 | 0 | 110.7 | I210 V212 V224 V259 L271 I275 | I210-L222 HydrophobicContact CB-CB 4.36Å; I210-L222 HydrophobicContact CD1-CD2 3.81Å; I210-L222 HydrophobicContact CG1-CD2 4.41Å; I210-L222 PolarHBondContact N-O 2.85Å; I210-L222 PolarHBondContact O-N 2.76Å; V212-L222 HydrophobicContact CG2-CB 3.77Å; V212-L222 HydrophobicContact CG2-CD2 4.44Å; L222-V224 HydrophobicContact CD2-CG2 3.64Å; L222-V224 HydrophobicContact CG-CG2 4.02Å; L222-V259 HydrophobicContact CD1-CG1 3.96Å; L222-V259 HydrophobicContact CG-CG1 4.49Å; L222-L271 HydrophobicContact CD1-CD2 4.32Å; L222-L271 HydrophobicContact CD1-CG 4.32Å; L222-I275 HydrophobicContact CD1-CG1 4.18Å; L222-I275 HydrophobicContact CD2-CD1 4.38Å; L222-I275 HydrophobicContact CD2-CG1 4.12Å; L222-I275 HydrophobicContact CD2-CG2 4.19Å |
| 223 | F | 90.1 | Very high | 84.8 | Confident | 43 Ų | 43 | 55.2 Ų | 55.2 | 19% | 0.189 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 123.5 | 166.9 | -178.1 | -91.6 | 0 | 0 | 0 | 109.8 | H207 L208 Y221 K225 V259 K260 | H207-F223 HydrophobicContact CB-CE1 4.39Å; H207-F223 HydrophobicContact CB-CE2 4Å; H207-F223 HydrophobicContact CB-CZ 3.66Å; H207-F223 AromaticContact CD2-CE2 3.61Å; H207-F223 AromaticContact CD2-CZ 3.82Å; H207-F223 AromaticContact CG-CZ 3.86Å; L208-F223 WeakPolarHBondContact O-CA 3.49Å; Y221-F223 HydrophobicContact CE1-CB 3.88Å; F223-K225 HydrophobicContact CE1-CB 3.8Å; F223-K225 HydrophobicContact CE1-CD 4.44Å; F223-K225 HydrophobicContact CZ-CB 4.32Å; F223-V259 WeakPolarHBondContact O-CA 3.26Å; F223-K260 HydrophobicContact CB-CB 4.31Å; F223-K260 HydrophobicContact CD1-CD 4.34Å; F223-K260 PolarHBondContact N-O 3.23Å; F223-K260 PolarHBondContact O-N 2.89Å |
| 224 | V | 86.3 | Confident | 85 | Confident | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.012 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 148.9 | 171.3 | -179.4 | 0 | 0 | 0 | 0 | 107.8 | Y3 H207 L208 L222 F257 E258 V259 I275 L279 | Y3-V224 HydrophobicContact CD2-CG1 4.12Å; Y3-V224 HydrophobicContact CE1-CG1 3.92Å; Y3-V224 HydrophobicContact CE2-CB 3.81Å; Y3-V224 HydrophobicContact CE2-CG1 3.35Å; Y3-V224 WeakPolarHBondContact OH-CB 3.36Å; Y3-V224 WeakPolarHBondContact OH-CG1 3.06Å; Y3-V224 PolarHBondContact OH-O 3.34Å; H207-V224 WeakPolarHBondContact CA-O 3.49Å; H207-V224 VanDerWaalsContact CB-O 3.23Å; H207-V224 WeakPolarHBondContact CB-O 3.43Å; L208-V224 PolarHBondContact N-O 2.88Å; L208-V224 PolarHBondContact O-N 3.48Å; L222-V224 HydrophobicContact CD2-CG2 3.64Å; L222-V224 HydrophobicContact CG-CG2 4.02Å; V224-F257 HydrophobicContact CG1-CD1 4.19Å; V224-E258 CarbonylContact C-O 3.59Å; V224-V259 HydrophobicContact CB-CG2 4.3Å; V224-V259 HydrophobicContact CG1-CG2 3.92Å; V224-V259 HydrophobicContact CG2-CG1 4.26Å; V224-V259 HydrophobicContact CG2-CG2 4.03Å; V224-I275 HydrophobicContact CG2-CG2 4.44Å; V224-L279 HydrophobicContact CG1-CD1 4.24Å |
| 225 | K | 88.1 | Confident | 85.4 | Confident | 64 Ų | 64 | 56.5 Ų | 56.5 | 28% | 0.278 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 133.4 | 171.3 | 177.3 | 167.2 | -175.4 | 169.9 | 0 | 109.6 | G205 F206 H207 F223 F257 E258 | G205-K225 WeakPolarHBondContact O-CE 3.45Å; F206-K225 WeakPolarHBondContact O-CA 3.17Å; H207-K225 HydrophobicContact CB-CB 3.87Å; H207-K225 HydrophobicContact CB-CD 4.43Å; H207-K225 HydrophobicContact CB-CG 4.07Å; F223-K225 HydrophobicContact CE1-CB 3.8Å; F223-K225 HydrophobicContact CE1-CD 4.44Å; F223-K225 HydrophobicContact CZ-CB 4.32Å; K225-F257 WeakPolarHBondContact O-CA 3.31Å; K225-E258 HydrophobicContact CB-CB 4.25Å; K225-E258 PolarHBondContact N-O 2.98Å; K225-E258 PolarHBondContact O-N 2.94Å |
| 226 | M | 84.1 | Confident | 86.1 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 115.2 | 173.4 | 171.6 | 177.8 | -90.2 | 0 | 0 | 107.9 | Y3 L4 I7 Y202 G205 F206 V229 V255 F257 | Y3-M226 HydrophobicContact CD1-CB 3.31Å; Y3-M226 HydrophobicContact CD1-CE 4.31Å; Y3-M226 HydrophobicContact CD1-CG 4.36Å; Y3-M226 HydrophobicContact CD1-SD 4.18Å; Y3-M226 HydrophobicContact CE1-CB 3.74Å; Y3-M226 HydrophobicContact CG-CB 4.35Å; Y3-M226 HydrophobicContact CG-CE 4.3Å; L4-M226 HydrophobicContact CD1-CE 3.72Å; L4-M226 HydrophobicContact CG-CE 4.02Å; I7-M226 HydrophobicContact CD1-SD 3.74Å; Y202-M226 HydrophobicContact CD1-CG 4.16Å; Y202-M226 HydrophobicContact CD1-SD 4.08Å; Y202-M226 HydrophobicContact CE1-CG 3.95Å; Y202-M226 HydrophobicContact CE1-SD 4.04Å; G205-M226 WeakPolarHBondContact CA-O 3.18Å; F206-M226 PolarHBondContact O-N 2.87Å; M226-V229 HydrophobicContact CE-CG2 3.44Å; M226-V229 VanDerWaalsContact CE-CG2 3.44Å; M226-V229 HydrophobicContact CG-CG2 4Å; M226-V229 HydrophobicContact SD-CG2 3.4Å; M226-V229 WeakPolarHBondContact SD-CG2 3.19Å; M226-V255 HydrophobicContact CE-CG1 3.72Å; M226-F257 HydrophobicContact CB-CD1 4.42Å; M226-F257 HydrophobicContact CB-CE1 4.44Å; M226-F257 HydrophobicContact CE-CE1 3.72Å; M226-F257 HydrophobicContact CE-CZ 3.88Å |
| 227 | R | 86.3 | Confident | 86.9 | Confident | 143 Ų | 143 | 47.5 Ų | 47.5 | 54% | 0.54 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | -46.9 | 178.8 | -70.2 | -175.5 | 169.7 | -158.6 | -2.8 | 110.6 | N203 D256 E258 | N203-R227 WeakPolarHBondContact CA-O 3.21Å; R227-D256 HydrophobicContact CB-CB 4.3Å; R227-D256 PolarHBondContact N-O 3.38Å; R227-E258 HydrophobicContact CG-CB 4.33Å; R227-E258 IonicContact CZ-OE2 3.27Å; R227-E258 IonicContact NE-OE2 3.96Å; R227-E258 PolarHBondContact NE-OE2 3.28Å; R227-E258 VanDerWaalsContact NH2-CD 3.33Å; R227-E258 IonicContact NH2-OE1 3.82Å; R227-E258 IonicContact NH2-OE2 2.67Å; R227-E258 PolarHBondContact NH2-OE2 3.26Å |
| 228 | R | 87.2 | Confident | 87.5 | Confident | 100 Ų | 100 | 44.9 Ų | 44.9 | 38% | 0.377 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 144.7 | -173.6 | -169.1 | 164.1 | -168.7 | -149.8 | 7 | 112.8 | E201 Y202 N203 V230 D256 | E201-R228 IonicContact OE1-CZ 3.88Å; E201-R228 IonicContact OE1-NE 3.57Å; E201-R228 PolarHBondContact OE1-NE 2.8Å; E201-R228 IonicContact OE1-NH2 3.75Å; E201-R228 PolarHBondContact OE1-NH2 2.8Å; E201-R228 IonicContact OE2-NH2 2.7Å; Y202-R228 CarbonylContact O-C 3.59Å; Y202-R228 VanDerWaalsContact O-CA 3.25Å; Y202-R228 WeakPolarHBondContact O-CA 3.42Å; N203-R228 WeakPolarHBondContact OD1-CD 3.38Å; N203-R228 VanDerWaalsContact OD1-CG 3.25Å; N203-R228 WeakPolarHBondContact OD1-CG 3.36Å; N203-R228 PolarHBondContact OD1-NE 2.93Å; R228-V230 HydrophobicContact CG-CG2 4.02Å; R228-D256 HydrophobicContact CB-CB 4.18Å; R228-D256 PolarHBondContact O-N 2.9Å |
| 229 | V | 86.6 | Confident | 87.6 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 130.1 | 159.9 | 177.2 | 0 | 0 | 0 | 0 | 108.3 | L4 I7 E201 Y202 M226 F249 L254 V255 | L4-V229 HydrophobicContact CD1-CG2 4.18Å; I7-V229 HydrophobicContact CD1-CB 4.02Å; I7-V229 HydrophobicContact CD1-CG1 4.45Å; I7-V229 HydrophobicContact CD1-CG2 3.69Å; E201-V229 CarbonylContact C-O 3.52Å; E201-V229 WeakPolarHBondContact CA-O 3.45Å; Y202-V229 HydrophobicContact CD1-CG2 4.49Å; Y202-V229 PolarHBondContact N-O 2.86Å; Y202-V229 PolarHBondContact O-N 3.26Å; M226-V229 HydrophobicContact CE-CG2 3.44Å; M226-V229 VanDerWaalsContact CE-CG2 3.44Å; M226-V229 HydrophobicContact CG-CG2 4Å; M226-V229 HydrophobicContact SD-CG2 3.4Å; M226-V229 WeakPolarHBondContact SD-CG2 3.19Å; V229-F249 HydrophobicContact CG1-CE1 4.5Å; V229-F249 HydrophobicContact CG1-CZ 4.21Å; V229-L254 CarbonylContact C-O 3.54Å; V229-L254 VanDerWaalsContact CA-O 3.31Å; V229-L254 WeakPolarHBondContact CA-O 3.34Å; V229-V255 HydrophobicContact CG1-CG2 4.23Å; V229-V255 HydrophobicContact CG2-CG1 4.04Å; V229-V255 HydrophobicContact CG2-CG2 4.08Å |
| 230 | V | 91.3 | Very high | 87.3 | Confident | 36 Ų | 36 | 42.8 Ų | 42.8 | 22% | 0.218 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 134.9 | 168.7 | 179.9 | 0 | 0 | 0 | 0 | 108.9 | I200 E201 R228 L254 | I200-V230 WeakPolarHBondContact O-CA 3.33Å; E201-V230 HydrophobicContact CB-CG2 4.17Å; E201-V230 HydrophobicContact CG-CG2 3.88Å; R228-V230 HydrophobicContact CG-CG2 4.02Å; V230-L254 HydrophobicContact CB-CB 4.4Å; V230-L254 PolarHBondContact N-O 3.46Å; V230-L254 PolarHBondContact O-N 2.87Å |
| 231 | G | 89.8 | Confident | 86.6 | Confident | 14 Ų | 14 | 43 Ų | 43 | 14% | 0.144 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.6 | 173.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | I200 | I200-G231 WeakPolarHBondContact CG2-O 3.3Å; I200-G231 PolarHBondContact N-O 3.1Å; I200-G231 PolarHBondContact O-N 3.36Å |
| 232 | R | 90.8 | Very high | 86.1 | Confident | 99 Ų | 99 | 39.9 Ų | 39.9 | 37% | 0.374 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 123.7 | 176.7 | -53.8 | -172.1 | -64.4 | 156.7 | -9.1 | 109.4 | E197 F249 L250 D251 | E197-R232 WeakPolarHBondContact OE1-CD 3.03Å; E197-R232 IonicContact OE1-CZ 3.7Å; E197-R232 IonicContact OE1-NE 3.41Å; E197-R232 IonicContact OE1-NH1 3.49Å; E197-R232 PolarHBondContact OE1-NH1 2.72Å; R232-F249 CarbonylContact O-C 3.56Å; R232-F249 VanDerWaalsContact O-CA 3.27Å; R232-F249 WeakPolarHBondContact O-CA 3.27Å; R232-L250 HydrophobicContact CB-CB 4.49Å; R232-L250 HydrophobicContact CB-CD1 4.07Å; R232-L250 PolarHBondContact O-N 3.28Å; R232-D251 IonicContact CZ-OD2 2.7Å; R232-D251 IonicContact NE-OD2 2.89Å; R232-D251 PolarHBondContact NE-OD2 3.43Å; R232-D251 IonicContact NH2-OD2 3.42Å; R232-D251 PolarHBondContact NH2-OD2 2.75Å |
| 233 | L | 88.3 | Confident | 86 | Confident | 13 Ų | 13 | 40.8 Ų | 40.8 | 7% | 0.068 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 135.6 | 177.8 | -70.7 | 176.2 | 0 | 0 | 0 | 110.8 | E197 V198 I200 F247 S248 F249 | E197-L233 CarbonylContact C-O 3.59Å; E197-L233 WeakPolarHBondContact CA-O 3.4Å; V198-L233 HydrophobicContact CB-CB 4.44Å; V198-L233 PolarHBondContact N-O 2.72Å; V198-L233 PolarHBondContact O-N 3.47Å; I200-L233 HydrophobicContact CB-CD1 4.08Å; I200-L233 HydrophobicContact CD1-CD1 3.96Å; I200-L233 HydrophobicContact CG2-CD1 3.8Å; I200-L233 HydrophobicContact CG2-CG 3.88Å; L233-F247 HydrophobicContact CD1-CD2 4.43Å; L233-F247 HydrophobicContact CD2-CD2 3.93Å; L233-F247 HydrophobicContact CD2-CE2 4.31Å; L233-S248 CarbonylContact C-O 2.85Å; L233-S248 WeakPolarHBondContact CA-O 3.23Å; L233-F249 HydrophobicContact CD2-CB 4.49Å; L233-F249 HydrophobicContact CD2-CD1 3.49Å; L233-F249 VanDerWaalsContact CD2-CD1 3.49Å; L233-F249 HydrophobicContact CD2-CD2 3.96Å; L233-F249 HydrophobicContact CD2-CE1 3.52Å; L233-F249 HydrophobicContact CD2-CE2 3.95Å; L233-F249 HydrophobicContact CD2-CG 3.72Å; L233-F249 HydrophobicContact CD2-CZ 3.75Å; L233-F249 HydrophobicContact CG-CD1 4.16Å; L233-F249 HydrophobicContact CG-CE1 4.03Å |
| 234 | R | 89.7 | Confident | 85.8 | Confident | 63 Ų | 63 | 39 Ų | 39 | 24% | 0.238 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 116.4 | 153.8 | -179.1 | 176 | 174.5 | 177.3 | -3 | 107.6 | E193 N195 F196 F247 S248 L250 | E193-R234 IonicContact OE1-NH2 3.19Å; E193-R234 PolarHBondContact OE1-NH2 3.46Å; N195-R234 PolarHBondContact ND2-NH2 3.24Å; N195-R234 PolarHBondContact OD1-NE 3.24Å; N195-R234 PolarHBondContact OD1-NH2 3.21Å; F196-R234 CarbonylContact O-C 3.1Å; F196-R234 WeakPolarHBondContact O-CA 3.28Å; R234-F247 VanDerWaalsContact O-CA 3.28Å; R234-F247 WeakPolarHBondContact O-CA 3.29Å; R234-S248 PolarHBondContact N-O 2.87Å; R234-S248 PolarHBondContact O-N 3.18Å; R234-L250 HydrophobicContact CB-CD2 3.84Å; R234-L250 HydrophobicContact CB-CG 4.36Å |
| 235 | L | 88.8 | Confident | 85.9 | Confident | 50 Ų | 50 | 39.6 Ų | 39.6 | 26% | 0.262 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 121.3 | 165.4 | 176 | 67.9 | 0 | 0 | 0 | 107.6 | F196 F237 W245 F247 | F196-L235 HydrophobicContact CB-CB 4.38Å; F196-L235 PolarHBondContact N-O 3.14Å; F196-L235 PolarHBondContact O-N 3.31Å; L235-F237 HydrophobicContact CD1-CE2 4.28Å; L235-F237 HydrophobicContact CD1-CZ 4.36Å; L235-F237 HydrophobicContact CD2-CE2 3.79Å; L235-F237 HydrophobicContact CD2-CZ 4.12Å; L235-F237 HydrophobicContact CG-CD2 4.5Å; L235-F237 HydrophobicContact CG-CE2 3.73Å; L235-F237 HydrophobicContact CG-CZ 4.23Å; L235-W245 HydrophobicContact CD1-CE3 3.89Å; L235-W245 HydrophobicContact CD1-CZ3 4.17Å; L235-F247 HydrophobicContact CD1-CB 4.19Å |
| 236 | Q | 89.4 | Confident | 85.8 | Confident | 21 Ų | 21 | 36.5 Ų | 36.5 | 10% | 0.098 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 135 | -171.6 | 178.5 | -174.6 | 24.2 | 0 | 0 | 109.4 | E193 L194 N195 W245 S246 | E193-Q236 HydrophobicContact CG-CG 4.5Å; E193-Q236 WeakPolarHBondContact OE1-CG 3.5Å; E193-Q236 PolarHBondContact OE1-NE2 3.29Å; L194-Q236 CarbonylContact O-C 3.51Å; L194-Q236 WeakPolarHBondContact O-CA 3.27Å; N195-Q236 WeakPolarHBondContact OD1-CG 3.32Å; Q236-W245 CarbonylContact O-C 3.52Å; Q236-W245 WeakPolarHBondContact O-CA 3.39Å; Q236-W245 WeakPolarHBondContact O-CB 3.29Å; Q236-S246 PolarHBondContact N-O 2.9Å; Q236-S246 PolarHBondContact O-N 3.34Å; Q236-S246 PolarHBondContact OE1-OG 3.28Å; Q236-S246 VanDerWaalsContact OE1-OG 3.1Å |
| 237 | F | 89.2 | Confident | 85.9 | Confident | 40 Ų | 40 | 37.2 Ų | 37.2 | 18% | 0.175 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 135.5 | 166.7 | -57.3 | -98.7 | 0 | 0 | 0 | 107.5 | E193 L194 F196 L235 W245 F299 F300 | E193-F237 CarbonylContact C-O 3.59Å; E193-F237 WeakPolarHBondContact CA-O 3.49Å; L194-F237 HydrophobicContact CB-CB 4.41Å; L194-F237 PolarHBondContact N-O 3.43Å; L194-F237 PolarHBondContact O-N 3.03Å; F196-F237 HydrophobicContact CD2-CD2 4.35Å; F196-F237 HydrophobicContact CD2-CE2 4.22Å; F196-F237 HydrophobicContact CE2-CD2 4.09Å; F196-F237 HydrophobicContact CE2-CE2 4.07Å; L235-F237 HydrophobicContact CD1-CE2 4.28Å; L235-F237 HydrophobicContact CD1-CZ 4.36Å; L235-F237 HydrophobicContact CD2-CE2 3.79Å; L235-F237 HydrophobicContact CD2-CZ 4.12Å; L235-F237 HydrophobicContact CG-CD2 4.5Å; L235-F237 HydrophobicContact CG-CE2 3.73Å; L235-F237 HydrophobicContact CG-CZ 4.23Å; F237-W245 HydrophobicContact CD1-CB 3.71Å; F237-W245 HydrophobicContact CE1-CB 3.97Å; F237-W245 HydrophobicContact CG-CB 4.38Å; F237-F299 HydrophobicContact CE1-CD1 4.16Å; F237-F299 AromaticContact CE1-CD2 3.71Å; F237-F299 HydrophobicContact CE1-CD2 3.71Å; F237-F299 HydrophobicContact CE1-CE1 4.1Å; F237-F299 AromaticContact CE1-CE2 3.64Å; F237-F299 HydrophobicContact CE1-CE2 3.64Å; F237-F299 AromaticContact CE1-CG 3.96Å; F237-F299 HydrophobicContact CE1-CG 3.96Å; F237-F299 AromaticContact CE1-CZ 3.83Å; F237-F299 HydrophobicContact CE1-CZ 3.83Å; F237-F299 HydrophobicContact CZ-CE1 4.39Å; F237-F299 HydrophobicContact CZ-CE2 4.06Å; F237-F299 AromaticContact CZ-CZ 3.95Å; F237-F299 HydrophobicContact CZ-CZ 3.95Å; F237-F300 HydrophobicContact CD1-CE2 4.46Å; F237-F300 HydrophobicContact CD1-CZ 4.43Å |
| 238 | T | 86.9 | Confident | 86.1 | Confident | 17 Ų | 17 | 30.5 Ų | 30.5 | 10% | 0.104 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 149.7 | 177.1 | 178.5 | 0 | 0 | 0 | 0 | 111.5 | E192 M240 S243 H244 | E192-T238 WeakPolarHBondContact O-CA 3.48Å; E192-T238 PolarHBondContact O-OG1 3.38Å; T238-M240 VanDerWaalsContact C-N 3.3Å; T238-M240 VanDerWaalsContact CG2-O 3.22Å; T238-M240 WeakPolarHBondContact CG2-O 3.34Å; T238-M240 PolarHBondContact OG1-N 2.92Å; T238-M240 VanDerWaalsContact OG1-N 3.08Å; T238-M240 PolarHBondContact OG1-O 3.37Å; T238-S243 WeakPolarHBondContact O-CA 3.49Å; T238-H244 WeakPolarHBondContact CG2-CE1 3.42Å; T238-H244 PolarHBondContact N-O 3.38Å; T238-H244 PolarHBondContact O-N 3.33Å |
| 239 | R | 82.4 | Confident | 86.1 | Confident | 91 Ų | 91 | 25.8 Ų | 25.8 | 34% | 0.343 | 12% | 0.121 | S | C | . | . | trans | -77.1 | -14.7 | 170.1 | -65.8 | 179.9 | 68.4 | -175.8 | -1.7 | 113 | D186 E192 F242 S243 R337 | D186-R239 IonicContact OD2-NH1 3.82Å; D186-R239 PolarHBondContact OD2-NH1 2.83Å; E192-R239 PolarHBondContact O-N 2.93Å; R239-F242 CarbonylContact C-O 3.38Å; R239-F242 CarbonylContact O-C 3.6Å; R239-F242 VanDerWaalsContact O-CA 3.23Å; R239-F242 WeakPolarHBondContact O-CA 3.3Å; R239-F242 PolarHBondContact O-N 3.49Å; R239-S243 PolarHBondContact O-N 3.28Å; R239-R337 WeakPolarHBondContact O-CD 3.48Å; R239-R337 PolarHBondContact O-NH1 3Å | ||
| 240 | M | 77.6 | Confident | 86.3 | Confident | 32 Ų | 32 | 28 Ų | 28 | 16% | 0.158 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -117.3 | 138.3 | -166.5 | -56.7 | -54.5 | -79.7 | 0 | 0 | 112.3 | T238 H244 R337 Y344 | T238-M240 VanDerWaalsContact C-N 3.3Å; T238-M240 VanDerWaalsContact CG2-O 3.22Å; T238-M240 WeakPolarHBondContact CG2-O 3.34Å; T238-M240 PolarHBondContact OG1-N 2.92Å; T238-M240 VanDerWaalsContact OG1-N 3.08Å; T238-M240 PolarHBondContact OG1-O 3.37Å; M240-H244 PolarHBondContact O-CE1 3.05Å; M240-H244 VanDerWaalsContact O-CE1 3.31Å; M240-R337 HydrophobicContact CE-CB 4.14Å; M240-R337 HydrophobicContact CE-CG 4.33Å; M240-R337 HydrophobicContact SD-CB 3.97Å; M240-R337 HydrophobicContact SD-CG 3.6Å; M240-Y344 VanDerWaalsContact CE-CB 3.49Å; M240-Y344 HydrophobicContact CE-CD1 3.38Å; M240-Y344 HydrophobicContact CE-CD2 4.28Å; M240-Y344 HydrophobicContact CE-CE1 4.19Å; M240-Y344 HydrophobicContact CE-CG 3.44Å; M240-Y344 VanDerWaalsContact CE-CG 3.44Å |
| 241 | P | 69.8 | Low | 86.2 | Confident | 6 Ų | 6 | 30.2 Ų | 30.2 | 4% | 0.039 | 14% | 0.143 | C | C | . | . | S | Bend | cis | -67.3 | -19.2 | -8 | 30.4 | -37.5 | 0 | 0 | 0 | 113.4 | Y344 L822 F828 | P241-Y344 HydrophobicContact CB-CE1 4.29Å; P241-Y344 HydrophobicContact CB-CE2 3.83Å; P241-Y344 VanDerWaalsContact CB-CZ 3.47Å; P241-Y344 WeakPolarHBondContact CB-OH 3.37Å; P241-L822 HydrophobicContact CG-CD1 3.99Å; P241-F828 HydrophobicContact CG-CE2 4.14Å |
| 242 | F | 79.6 | Confident | 86.1 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -145.4 | 164.1 | 173.7 | 47.3 | -104.9 | 0 | 0 | 0 | 109 | R239 H244 I294 Y296 F828 N829 L832 | R239-F242 CarbonylContact C-O 3.38Å; R239-F242 CarbonylContact O-C 3.6Å; R239-F242 VanDerWaalsContact O-CA 3.23Å; R239-F242 WeakPolarHBondContact O-CA 3.3Å; R239-F242 PolarHBondContact O-N 3.49Å; F242-H244 HydrophobicContact CD2-CB 3.93Å; F242-H244 AromaticContact CD2-ND1 3.97Å; F242-H244 HydrophobicContact CE2-CB 3.83Å; F242-H244 AromaticContact CE2-CG 3.97Å; F242-H244 AromaticContact CE2-ND1 3.88Å; F242-H244 PolarHBondContact O-N 2.87Å; F242-H244 PolarHBondContact O-ND1 3.26Å; F242-I294 HydrophobicContact CE2-CG2 3.85Å; F242-I294 HydrophobicContact CZ-CG2 4.15Å; F242-Y296 HydrophobicContact CD2-CD1 4.32Å; F242-Y296 AromaticContact CD2-CE1 3.49Å; F242-Y296 HydrophobicContact CD2-CE1 3.49Å; F242-Y296 VanDerWaalsContact CD2-CE1 3.49Å; F242-Y296 HydrophobicContact CE2-CD1 4.34Å; F242-Y296 AromaticContact CE2-CE1 3.32Å; F242-Y296 HydrophobicContact CE2-CE1 3.32Å; F242-Y296 AromaticContact CE2-CZ 3.56Å; F242-Y296 VanDerWaalsContact CE2-OH 3.26Å; F242-Y296 WeakPolarHBondContact CE2-OH 3.37Å; F242-Y296 HydrophobicContact CG-CE1 4.43Å; F242-Y296 HydrophobicContact CZ-CE1 4.12Å; F242-Y296 WeakPolarHBondContact CZ-OH 3.41Å; F242-F828 HydrophobicContact CE1-CD2 4.09Å; F242-F828 HydrophobicContact CE1-CE2 4.04Å; F242-F828 HydrophobicContact CZ-CD2 4.13Å; F242-N829 WeakPolarHBondContact CE1-O 3.42Å; F242-L832 HydrophobicContact CB-CB 4.05Å; F242-L832 HydrophobicContact CD1-CB 3.42Å; F242-L832 VanDerWaalsContact CD1-CB 3.42Å; F242-L832 HydrophobicContact CD1-CD1 4.44Å; F242-L832 HydrophobicContact CE1-CB 4.08Å; F242-L832 HydrophobicContact CG-CB 3.83Å; F242-L832 HydrophobicContact CG-CD1 4.36Å |
| 243 | S | 84.5 | Confident | 86.1 | Confident | 21 Ų | 21 | 30.3 Ų | 30.3 | 15% | 0.147 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -64.2 | 105.7 | -176 | -42.2 | 0 | 0 | 0 | 0 | 111.2 | T238 R239 F300 R337 | T238-S243 WeakPolarHBondContact O-CA 3.49Å; R239-S243 PolarHBondContact O-N 3.28Å; S243-F300 WeakPolarHBondContact O-CD2 3.47Å; S243-F300 WeakPolarHBondContact O-CG 3.41Å; S243-R337 PolarHBondContact OG-NH1 2.97Å |
| 244 | H | 85.2 | Confident | 86.1 | Confident | 4 Ų | 4 | 35.6 Ų | 35.6 | 2% | 0.019 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 165.8 | -177.7 | 77.3 | -85.5 | 0 | 0 | 0 | 112.7 | T238 M240 F242 I294 R295 | T238-H244 WeakPolarHBondContact CG2-CE1 3.42Å; T238-H244 PolarHBondContact N-O 3.38Å; T238-H244 PolarHBondContact O-N 3.33Å; M240-H244 PolarHBondContact O-CE1 3.05Å; M240-H244 VanDerWaalsContact O-CE1 3.31Å; F242-H244 HydrophobicContact CD2-CB 3.93Å; F242-H244 AromaticContact CD2-ND1 3.97Å; F242-H244 HydrophobicContact CE2-CB 3.83Å; F242-H244 AromaticContact CE2-CG 3.97Å; F242-H244 AromaticContact CE2-ND1 3.88Å; F242-H244 PolarHBondContact O-N 2.87Å; F242-H244 PolarHBondContact O-ND1 3.26Å; H244-I294 HydrophobicContact CB-CG2 4.08Å; H244-R295 WeakPolarHBondContact CA-O 3.48Å; H244-R295 WeakPolarHBondContact CB-O 3.41Å |
| 245 | W | 87.8 | Confident | 86 | Confident | 15 Ų | 15 | 32.8 Ų | 32.8 | 6% | 0.057 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 156.6 | 170.6 | 73.2 | -76.9 | 0 | 0 | 0 | 111.6 | L235 Q236 F237 F247 R295 Y296 K297 F299 F300 | L235-W245 HydrophobicContact CD1-CE3 3.89Å; L235-W245 HydrophobicContact CD1-CZ3 4.17Å; Q236-W245 CarbonylContact O-C 3.52Å; Q236-W245 WeakPolarHBondContact O-CA 3.39Å; Q236-W245 WeakPolarHBondContact O-CB 3.29Å; F237-W245 HydrophobicContact CD1-CB 3.71Å; F237-W245 HydrophobicContact CE1-CB 3.97Å; F237-W245 HydrophobicContact CG-CB 4.38Å; W245-F247 HydrophobicContact CZ3-CB 4.37Å; W245-F247 HydrophobicContact CZ3-CD1 4.35Å; W245-R295 HydrophobicContact CD2-CB 3.98Å; W245-R295 HydrophobicContact CG-CB 4.12Å; W245-R295 HydrophobicContact CZ2-CB 4.08Å; W245-R295 VanDerWaalsContact CZ2-CD 3.46Å; W245-R295 HydrophobicContact CZ2-CG 4.41Å; W245-R295 PolarHBondContact N-O 3.48Å; W245-R295 VanDerWaalsContact NE1-CB 3.34Å; W245-R295 WeakPolarHBondContact O-CB 3.22Å; W245-R295 PolarHBondContact O-N 2.71Å; W245-Y296 PolarHBondContact NE1-O 2.96Å; W245-K297 PolarHBondContact NE1-O 3.18Å; W245-F299 HydrophobicContact CB-CD2 4.46Å; W245-F299 AromaticContact CD1-CD2 3.64Å; W245-F299 HydrophobicContact CD2-CD2 4.12Å; W245-F299 HydrophobicContact CD2-CE2 4.05Å; W245-F299 AromaticContact CG-CD2 3.86Å; W245-F299 HydrophobicContact CG-CD2 3.86Å; W245-F299 HydrophobicContact CG-CE2 4.21Å; W245-F299 AromaticContact NE1-CD2 3.75Å; W245-F300 HydrophobicContact CB-CE2 4.28Å |
| 246 | S | 86.6 | Confident | 86 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 148.9 | -176.3 | 144.7 | 0 | 0 | 0 | 0 | 107.9 | Q236 Y292 | Q236-S246 PolarHBondContact N-O 2.9Å; Q236-S246 PolarHBondContact O-N 3.34Å; Q236-S246 PolarHBondContact OE1-OG 3.28Å; Q236-S246 VanDerWaalsContact OE1-OG 3.1Å; S246-Y292 WeakPolarHBondContact OG-CD2 3.35Å |
| 247 | F | 87.3 | Confident | 85.8 | Confident | 16 Ų | 16 | 34.8 Ų | 34.8 | 7% | 0.07 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 141.7 | 165.4 | 89 | -66.2 | 0 | 0 | 0 | 108.7 | S8 L233 R234 L235 W245 H287 | S8-F247 VanDerWaalsContact CB-CE1 3.43Å; L233-F247 HydrophobicContact CD1-CD2 4.43Å; L233-F247 HydrophobicContact CD2-CD2 3.93Å; L233-F247 HydrophobicContact CD2-CE2 4.31Å; R234-F247 VanDerWaalsContact O-CA 3.28Å; R234-F247 WeakPolarHBondContact O-CA 3.29Å; L235-F247 HydrophobicContact CD1-CB 4.19Å; W245-F247 HydrophobicContact CZ3-CB 4.37Å; W245-F247 HydrophobicContact CZ3-CD1 4.35Å; F247-H287 AromaticContact CE1-CE1 3.93Å; F247-H287 AromaticContact CE1-ND1 3.65Å; F247-H287 AromaticContact CZ-CE1 3.81Å; F247-H287 AromaticContact CZ-CG 3.99Å; F247-H287 AromaticContact CZ-ND1 3.33Å; F247-H287 VanDerWaalsContact CZ-ND1 3.33Å; F247-H287 WeakPolarHBondContact CZ-ND1 3.47Å |
| 248 | S | 89 | Confident | 85.7 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.007 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 154.7 | 178.2 | 54.3 | 0 | 0 | 0 | 0 | 110.3 | L233 R234 H287 L289 | L233-S248 CarbonylContact C-O 2.85Å; L233-S248 WeakPolarHBondContact CA-O 3.23Å; R234-S248 PolarHBondContact N-O 2.87Å; R234-S248 PolarHBondContact O-N 3.18Å; S248-H287 CarbonylContact C-O 3.53Å; S248-H287 WeakPolarHBondContact CA-O 3.44Å; S248-L289 VanDerWaalsContact OG-CD2 3.29Å; S248-L289 WeakPolarHBondContact OG-CD2 3.42Å |
| 249 | F | 88.4 | Confident | 85.8 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 0% | 0.004 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 137.8 | 167.7 | -64.2 | -86 | 0 | 0 | 0 | 110 | L4 I200 V229 R232 L233 D251 P253 H287 T288 L289 | L4-F249 HydrophobicContact CD2-CE2 3.88Å; L4-F249 HydrophobicContact CD2-CZ 3.96Å; I200-F249 HydrophobicContact CG2-CE1 3.89Å; V229-F249 HydrophobicContact CG1-CE1 4.5Å; V229-F249 HydrophobicContact CG1-CZ 4.21Å; R232-F249 CarbonylContact O-C 3.56Å; R232-F249 VanDerWaalsContact O-CA 3.27Å; R232-F249 WeakPolarHBondContact O-CA 3.27Å; L233-F249 HydrophobicContact CD2-CB 4.49Å; L233-F249 HydrophobicContact CD2-CD1 3.49Å; L233-F249 VanDerWaalsContact CD2-CD1 3.49Å; L233-F249 HydrophobicContact CD2-CD2 3.96Å; L233-F249 HydrophobicContact CD2-CE1 3.52Å; L233-F249 HydrophobicContact CD2-CE2 3.95Å; L233-F249 HydrophobicContact CD2-CG 3.72Å; L233-F249 HydrophobicContact CD2-CZ 3.75Å; L233-F249 HydrophobicContact CG-CD1 4.16Å; L233-F249 HydrophobicContact CG-CE1 4.03Å; F249-D251 WeakPolarHBondContact CB-O 3.3Å; F249-P253 HydrophobicContact CD1-CB 3.76Å; F249-P253 HydrophobicContact CD1-CG 4.15Å; F249-P253 HydrophobicContact CD2-CB 4.35Å; F249-P253 HydrophobicContact CD2-CG 3.83Å; F249-P253 HydrophobicContact CE1-CB 3.79Å; F249-P253 HydrophobicContact CE1-CG 4.29Å; F249-P253 HydrophobicContact CE2-CB 4.39Å; F249-P253 HydrophobicContact CE2-CG 4.01Å; F249-P253 HydrophobicContact CG-CB 4.05Å; F249-P253 HydrophobicContact CG-CG 3.92Å; F249-P253 HydrophobicContact CZ-CB 4.12Å; F249-P253 HydrophobicContact CZ-CG 4.23Å; F249-H287 WeakPolarHBondContact CD2-O 3.39Å; F249-H287 PolarHBondContact N-O 2.84Å; F249-T288 WeakPolarHBondContact O-CA 3.4Å; F249-L289 PolarHBondContact O-N 3.25Å |
| 250 | L | 89 | Confident | 86.1 | Confident | 48 Ų | 48 | 35.5 Ų | 35.5 | 25% | 0.251 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -64.6 | -44.1 | 172.3 | -68 | 174.5 | 0 | 0 | 0 | 110.7 | E197 R232 R234 L289 | E197-L250 HydrophobicContact CG-CD1 3.85Å; E197-L250 WeakPolarHBondContact OE1-CD1 3.47Å; R232-L250 HydrophobicContact CB-CB 4.49Å; R232-L250 HydrophobicContact CB-CD1 4.07Å; R232-L250 PolarHBondContact O-N 3.28Å; R234-L250 HydrophobicContact CB-CD2 3.84Å; R234-L250 HydrophobicContact CB-CG 4.36Å; L250-L289 HydrophobicContact CD2-CD1 3.84Å |
| 251 | D | 90.8 | Very high | 86.5 | Confident | 83 Ų | 83 | 34.2 Ų | 34.2 | 44% | 0.444 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -116.5 | 175 | -178.8 | -58 | -67.5 | 0 | 0 | 0 | 111.6 | R232 F249 P253 T288 | R232-D251 IonicContact CZ-OD2 2.7Å; R232-D251 IonicContact NE-OD2 2.89Å; R232-D251 PolarHBondContact NE-OD2 3.43Å; R232-D251 IonicContact NH2-OD2 3.42Å; R232-D251 PolarHBondContact NH2-OD2 2.75Å; F249-D251 WeakPolarHBondContact CB-O 3.3Å; D251-P253 VanDerWaalsContact O-CD 3.28Å; D251-P253 WeakPolarHBondContact O-CD 3.42Å; D251-T288 VanDerWaalsContact O-CG2 3.31Å; D251-T288 WeakPolarHBondContact O-CG2 3.47Å |
| 252 | D | 87.8 | Confident | 87.3 | Confident | 92 Ų | 92 | 38.6 Ų | 38.6 | 49% | 0.492 | 20% | 0.197 | S | C | . | . | trans | -66.8 | 117 | 167.7 | -81 | -13 | 0 | 0 | 0 | 110.1 | K284 | D252-K284 WeakPolarHBondContact OD1-CD 3.19Å; D252-K284 WeakPolarHBondContact OD1-CG 3.43Å; D252-K284 IonicContact OD1-NZ 3.53Å; D252-K284 PolarHBondContact OD1-NZ 2.75Å; D252-K284 IonicContact OD2-NZ 2.68Å; D252-K284 PolarHBondContact OD2-NZ 2.74Å | ||
| 253 | P | 89.6 | Confident | 87.4 | Confident | 23 Ų | 23 | 40.9 Ų | 40.9 | 15% | 0.149 | 21% | 0.207 | C | C | . | . | trans | -72.2 | 148.5 | -176.2 | 28.5 | -35.1 | 0 | 0 | 0 | 112.7 | F249 D251 V255 I283 | F249-P253 HydrophobicContact CD1-CB 3.76Å; F249-P253 HydrophobicContact CD1-CG 4.15Å; F249-P253 HydrophobicContact CD2-CB 4.35Å; F249-P253 HydrophobicContact CD2-CG 3.83Å; F249-P253 HydrophobicContact CE1-CB 3.79Å; F249-P253 HydrophobicContact CE1-CG 4.29Å; F249-P253 HydrophobicContact CE2-CB 4.39Å; F249-P253 HydrophobicContact CE2-CG 4.01Å; F249-P253 HydrophobicContact CG-CB 4.05Å; F249-P253 HydrophobicContact CG-CG 3.92Å; F249-P253 HydrophobicContact CZ-CB 4.12Å; F249-P253 HydrophobicContact CZ-CG 4.23Å; D251-P253 VanDerWaalsContact O-CD 3.28Å; D251-P253 WeakPolarHBondContact O-CD 3.42Å; P253-V255 HydrophobicContact CB-CG2 4.1Å; P253-V255 HydrophobicContact CG-CG2 4Å; P253-V255 PolarHBondContact O-N 2.89Å; P253-I283 HydrophobicContact CG-CG2 3.82Å | ||
| 254 | L | 89.6 | Confident | 87.2 | Confident | 124 Ų | 124 | 46 Ų | 46 | 65% | 0.649 | 23% | 0.228 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 110.5 | 170.3 | -62.4 | 177.7 | 0 | 0 | 0 | 108.7 | V229 V230 | V229-L254 CarbonylContact C-O 3.54Å; V229-L254 VanDerWaalsContact CA-O 3.31Å; V229-L254 WeakPolarHBondContact CA-O 3.34Å; V230-L254 HydrophobicContact CB-CB 4.4Å; V230-L254 PolarHBondContact N-O 3.46Å; V230-L254 PolarHBondContact O-N 2.87Å |
| 255 | V | 86.8 | Confident | 86.7 | Confident | 3 Ų | 3 | 48.8 Ų | 48.8 | 2% | 0.018 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 121.4 | -177.3 | -175.9 | 0 | 0 | 0 | 0 | 111.5 | L4 M226 V229 P253 F257 K280 I283 | L4-V255 HydrophobicContact CD1-CG1 4.5Å; L4-V255 HydrophobicContact CD1-CG2 4.06Å; M226-V255 HydrophobicContact CE-CG1 3.72Å; V229-V255 HydrophobicContact CG1-CG2 4.23Å; V229-V255 HydrophobicContact CG2-CG1 4.04Å; V229-V255 HydrophobicContact CG2-CG2 4.08Å; P253-V255 HydrophobicContact CB-CG2 4.1Å; P253-V255 HydrophobicContact CG-CG2 4Å; P253-V255 PolarHBondContact O-N 2.89Å; V255-F257 HydrophobicContact CB-CE2 4.29Å; V255-F257 HydrophobicContact CG1-CD2 3.86Å; V255-F257 HydrophobicContact CG1-CE1 4.23Å; V255-F257 HydrophobicContact CG1-CE2 3.34Å; V255-F257 HydrophobicContact CG1-CG 4.5Å; V255-F257 HydrophobicContact CG1-CZ 3.55Å; V255-K280 WeakPolarHBondContact O-CE 3.32Å; V255-K280 PolarHBondContact O-NZ 2.76Å; V255-I283 HydrophobicContact CG2-CD1 4.34Å |
| 256 | D | 88.5 | Confident | 86.4 | Confident | 83 Ų | 83 | 57.1 Ų | 57.1 | 44% | 0.444 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 114.7 | -179.2 | -67 | -37.2 | 0 | 0 | 0 | 111.4 | R227 R228 | R227-D256 HydrophobicContact CB-CB 4.3Å; R227-D256 PolarHBondContact N-O 3.38Å; R228-D256 HydrophobicContact CB-CB 4.18Å; R228-D256 PolarHBondContact O-N 2.9Å |
| 257 | F | 84.6 | Confident | 86.1 | Confident | 31 Ų | 31 | 62.2 Ų | 62.2 | 14% | 0.136 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 129.6 | 177.2 | -67.8 | -74.1 | 0 | 0 | 0 | 110.9 | Y3 V224 K225 M226 V255 V259 V276 L279 K280 I283 | Y3-F257 HydrophobicContact CD1-CE1 4.32Å; Y3-F257 HydrophobicContact CD2-CE1 4.37Å; Y3-F257 HydrophobicContact CG-CE1 4.03Å; V224-F257 HydrophobicContact CG1-CD1 4.19Å; K225-F257 WeakPolarHBondContact O-CA 3.31Å; M226-F257 HydrophobicContact CB-CD1 4.42Å; M226-F257 HydrophobicContact CB-CE1 4.44Å; M226-F257 HydrophobicContact CE-CE1 3.72Å; M226-F257 HydrophobicContact CE-CZ 3.88Å; V255-F257 HydrophobicContact CB-CE2 4.29Å; V255-F257 HydrophobicContact CG1-CD2 3.86Å; V255-F257 HydrophobicContact CG1-CE1 4.23Å; V255-F257 HydrophobicContact CG1-CE2 3.34Å; V255-F257 HydrophobicContact CG1-CG 4.5Å; V255-F257 HydrophobicContact CG1-CZ 3.55Å; F257-V259 HydrophobicContact CB-CG2 4.2Å; F257-V276 HydrophobicContact CB-CG2 4.04Å; F257-V276 HydrophobicContact CD2-CG1 4.31Å; F257-L279 HydrophobicContact CD1-CD1 4.1Å; F257-L279 HydrophobicContact CE1-CD1 3.86Å; F257-L279 HydrophobicContact CE2-CB 3.8Å; F257-L279 HydrophobicContact CE2-CD1 4.34Å; F257-L279 HydrophobicContact CG-CD1 4.44Å; F257-L279 HydrophobicContact CZ-CB 3.82Å; F257-L279 HydrophobicContact CZ-CD1 3.99Å; F257-L279 HydrophobicContact CZ-CG 4.41Å; F257-K280 HydrophobicContact CE2-CG 4.21Å; F257-I283 HydrophobicContact CE2-CD1 4.36Å; F257-I283 HydrophobicContact CZ-CD1 4.21Å |
| 258 | E | 88.9 | Confident | 85.8 | Confident | 38 Ų | 38 | 64.2 Ų | 64.2 | 18% | 0.178 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 121 | 160.2 | 172.4 | 179.9 | 177 | 0 | 0 | 107.6 | V224 K225 R227 K260 | V224-E258 CarbonylContact C-O 3.59Å; K225-E258 HydrophobicContact CB-CB 4.25Å; K225-E258 PolarHBondContact N-O 2.98Å; K225-E258 PolarHBondContact O-N 2.94Å; R227-E258 HydrophobicContact CG-CB 4.33Å; R227-E258 IonicContact CZ-OE2 3.27Å; R227-E258 IonicContact NE-OE2 3.96Å; R227-E258 PolarHBondContact NE-OE2 3.28Å; R227-E258 VanDerWaalsContact NH2-CD 3.33Å; R227-E258 IonicContact NH2-OE1 3.82Å; R227-E258 IonicContact NH2-OE2 2.67Å; R227-E258 PolarHBondContact NH2-OE2 3.26Å; E258-K260 WeakPolarHBondContact OE1-CE 3.34Å; E258-K260 IonicContact OE1-NZ 2.65Å; E258-K260 PolarHBondContact OE1-NZ 3.11Å |
| 259 | V | 87.1 | Confident | 85.3 | Confident | 19 Ų | 19 | 68.6 Ų | 68.6 | 12% | 0.115 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 134.6 | -179.2 | 175.7 | 0 | 0 | 0 | 0 | 109.6 | L222 F223 V224 F257 T272 V276 | L222-V259 HydrophobicContact CD1-CG1 3.96Å; L222-V259 HydrophobicContact CG-CG1 4.49Å; F223-V259 WeakPolarHBondContact O-CA 3.26Å; V224-V259 HydrophobicContact CB-CG2 4.3Å; V224-V259 HydrophobicContact CG1-CG2 3.92Å; V224-V259 HydrophobicContact CG2-CG1 4.26Å; V224-V259 HydrophobicContact CG2-CG2 4.03Å; F257-V259 HydrophobicContact CB-CG2 4.2Å; V259-T272 HydrophobicContact CB-CG2 3.99Å; V259-T272 HydrophobicContact CG1-CG2 4.07Å; V259-V276 HydrophobicContact CB-CG2 4.22Å; V259-V276 HydrophobicContact CG2-CG2 3.66Å |
| 260 | K | 89 | Confident | 84.8 | Confident | 106 Ų | 106 | 75.9 Ų | 75.9 | 46% | 0.461 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 94.1 | 179.5 | -63.9 | 171.2 | -173.1 | 160.3 | 0 | 108.5 | F223 E258 | F223-K260 HydrophobicContact CB-CB 4.31Å; F223-K260 HydrophobicContact CD1-CD 4.34Å; F223-K260 PolarHBondContact N-O 3.23Å; F223-K260 PolarHBondContact O-N 2.89Å; E258-K260 WeakPolarHBondContact OE1-CE 3.34Å; E258-K260 IonicContact OE1-NZ 2.65Å; E258-K260 PolarHBondContact OE1-NZ 3.11Å |
| 261 | S | 87.1 | Confident | 84.2 | Confident | 5 Ų | 5 | 74.6 Ų | 74.6 | 4% | 0.035 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 139 | 165 | 55.9 | 0 | 0 | 0 | 0 | 110.9 | Y221 P267 L268 T272 | Y221-S261 CarbonylContact O-C 3.55Å; Y221-S261 WeakPolarHBondContact O-CA 3.36Å; S261-P267 WeakPolarHBondContact O-CA 3.45Å; S261-L268 VanDerWaalsContact OG-C 3.3Å; S261-L268 PolarHBondContact OG-N 2.87Å; S261-L268 PolarHBondContact OG-O 2.85Å; S261-T272 PolarHBondContact OG-OG1 3.17Å |
| 262 | Q | 86.4 | Confident | 83.7 | Confident | 97 Ų | 97 | 72.2 Ų | 72.2 | 45% | 0.453 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 128.8 | 165.1 | -62.7 | -180 | 2.1 | 0 | 0 | 109.3 | Y221 R266 | Y221-Q262 HydrophobicContact CD1-CB 4.41Å; Y221-Q262 HydrophobicContact CD1-CG 4.49Å; Y221-Q262 PolarHBondContact N-O 3.37Å; Y221-Q262 PolarHBondContact O-N 3.38Å; Q262-R266 CarbonylContact C-O 3.56Å; Q262-R266 WeakPolarHBondContact CA-O 3.41Å |
| 263 | F | 81.5 | Confident | 83.4 | Confident | 49 Ų | 49 | 70.8 Ų | 70.8 | 22% | 0.215 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 119.7 | 176.4 | 175 | -98.2 | 0 | 0 | 0 | 107.5 | L214 K218 A220 G265 R266 L268 | L214-F263 HydrophobicContact CD1-CD2 4.15Å; L214-F263 HydrophobicContact CD1-CE2 3.91Å; K218-F263 HydrophobicContact CB-CE2 3.91Å; K218-F263 HydrophobicContact CB-CZ 4.31Å; K218-F263 HydrophobicContact CD-CE2 4.15Å; K218-F263 HydrophobicContact CD-CZ 3.69Å; A220-F263 HydrophobicContact CB-CB 4.44Å; A220-F263 HydrophobicContact CB-CD2 4.02Å; F263-G265 PolarHBondContact O-N 3.32Å; F263-G265 VanDerWaalsContact O-N 3.15Å; F263-R266 PolarHBondContact N-O 2.95Å; F263-R266 WeakPolarHBondContact O-CB 3.48Å; F263-R266 PolarHBondContact O-N 3.43Å; F263-L268 HydrophobicContact CB-CD2 4.36Å |
| 264 | E | 79.9 | Confident | 82.9 | Confident | 127 Ų | 127 | 72.3 Ų | 72.3 | 59% | 0.593 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 38 | -172.3 | -58.8 | 176 | 165.3 | 0 | 0 | 112.2 | K218 R266 | K218-E264 WeakPolarHBondContact CE-OE1 3.4Å; K218-E264 IonicContact NZ-OE1 3.55Å; K218-E264 PolarHBondContact NZ-OE1 3.26Å; E264-R266 VanDerWaalsContact C-N 3.25Å; E264-R266 PolarHBondContact O-N 3.22Å |
| 265 | G | 75.1 | Confident | 82.3 | Confident | 63 Ų | 63 | 67.6 Ų | 67.6 | 65% | 0.649 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.9 | -3.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116 | F263 | F263-G265 PolarHBondContact O-N 3.32Å; F263-G265 VanDerWaalsContact O-N 3.15Å |
| 266 | R | 80.6 | Confident | 81.9 | Confident | 191 Ų | 191 | 68.9 Ų | 68.9 | 72% | 0.721 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 141.9 | -178 | -58.5 | -176.7 | -178.2 | -166.4 | 0.7 | 112.1 | Q262 F263 E264 | Q262-R266 CarbonylContact C-O 3.56Å; Q262-R266 WeakPolarHBondContact CA-O 3.41Å; F263-R266 PolarHBondContact N-O 2.95Å; F263-R266 WeakPolarHBondContact O-CB 3.48Å; F263-R266 PolarHBondContact O-N 3.43Å; E264-R266 VanDerWaalsContact C-N 3.25Å; E264-R266 PolarHBondContact O-N 3.22Å |
| 267 | P | 81.6 | Confident | 81.6 | Confident | 107 Ų | 107 | 69.6 Ų | 69.6 | 70% | 0.695 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 131.7 | 178.2 | 29.1 | -34 | 0 | 0 | 0 | 112.2 | S261 P269 | S261-P267 WeakPolarHBondContact O-CA 3.45Å; P267-P269 WeakPolarHBondContact O-CD 3.37Å |
| 268 | L | 79.6 | Confident | 81.2 | Confident | 58 Ų | 58 | 69.5 Ų | 69.5 | 30% | 0.304 | 37% | 0.367 | S | S | . | . | trans | -111.4 | 78.2 | -178.7 | -172.5 | 59 | 0 | 0 | 0 | 112.4 | S261 F263 Q270 L271 T272 | S261-L268 VanDerWaalsContact OG-C 3.3Å; S261-L268 PolarHBondContact OG-N 2.87Å; S261-L268 PolarHBondContact OG-O 2.85Å; F263-L268 HydrophobicContact CB-CD2 4.36Å; L268-Q270 PolarHBondContact O-N 2.9Å; L268-L271 HydrophobicContact CB-CB 4.37Å; L268-L271 HydrophobicContact CD2-CB 3.83Å; L268-L271 HydrophobicContact CD2-CD2 4.22Å; L268-L271 HydrophobicContact CG-CB 3.9Å; L268-L271 PolarHBondContact O-N 3.43Å; L268-T272 PolarHBondContact O-N 2.99Å | ||
| 269 | P | 78.8 | Confident | 80.4 | Confident | 92 Ų | 92 | 68.3 Ų | 68.3 | 60% | 0.597 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -61.8 | -21.8 | -170.9 | 24.2 | -35.1 | 0 | 0 | 0 | 114.7 | P267 T272 S273 | P267-P269 WeakPolarHBondContact O-CD 3.37Å; P269-T272 WeakPolarHBondContact O-CB 3.4Å; P269-S273 PolarHBondContact O-N 3.46Å; P269-S273 PolarHBondContact O-OG 2.89Å |
| 270 | Q | 79.1 | Confident | 80.1 | Confident | 154 Ų | 154 | 71.9 Ų | 71.9 | 72% | 0.72 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -66.3 | -45.3 | 173.2 | -65.8 | -177.6 | -2.5 | 0 | 0 | 111.8 | L268 S273 F274 | L268-Q270 PolarHBondContact O-N 2.9Å; Q270-S273 PolarHBondContact O-N 2.9Å; Q270-S273 PolarHBondContact O-OG 3.31Å; Q270-S273 VanDerWaalsContact O-OG 3.09Å; Q270-F274 WeakPolarHBondContact O-CB 3.4Å; Q270-F274 PolarHBondContact O-N 3.36Å |
| 271 | L | 75.9 | Confident | 79.7 | Confident | 22 Ų | 22 | 74 Ų | 74 | 12% | 0.115 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.9 | -41.9 | 175 | -179.3 | 61.3 | 0 | 0 | 0 | 110.8 | A220 L222 L268 S273 F274 I275 | A220-L271 HydrophobicContact CB-CD2 4.34Å; L222-L271 HydrophobicContact CD1-CD2 4.32Å; L222-L271 HydrophobicContact CD1-CG 4.32Å; L268-L271 HydrophobicContact CB-CB 4.37Å; L268-L271 HydrophobicContact CD2-CB 3.83Å; L268-L271 HydrophobicContact CD2-CD2 4.22Å; L268-L271 HydrophobicContact CG-CB 3.9Å; L268-L271 PolarHBondContact O-N 3.43Å; L271-S273 PolarHBondContact O-N 2.87Å; L271-F274 HydrophobicContact CD1-CD1 4.45Å; L271-F274 PolarHBondContact O-N 2.82Å; L271-I275 HydrophobicContact CD1-CD1 4.41Å; L271-I275 HydrophobicContact CD1-CG1 4.04Å; L271-I275 HydrophobicContact CG-CG1 4.35Å; L271-I275 WeakPolarHBondContact O-CB 3.3Å; L271-I275 VanDerWaalsContact O-CG1 3.32Å; L271-I275 WeakPolarHBondContact O-CG1 3.27Å; L271-I275 PolarHBondContact O-N 2.99Å |
| 272 | T | 79.7 | Confident | 79.1 | Confident | 32 Ų | 32 | 75.1 Ų | 75.1 | 20% | 0.196 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -52.9 | -51.5 | 173.6 | -71.3 | 0 | 0 | 0 | 0 | 112 | V259 S261 L268 P269 V276 | V259-T272 HydrophobicContact CB-CG2 3.99Å; V259-T272 HydrophobicContact CG1-CG2 4.07Å; S261-T272 PolarHBondContact OG-OG1 3.17Å; L268-T272 PolarHBondContact O-N 2.99Å; P269-T272 WeakPolarHBondContact O-CB 3.4Å; T272-V276 WeakPolarHBondContact O-CG2 3.46Å; T272-V276 PolarHBondContact O-N 2.85Å; T272-V276 VanDerWaalsContact O-N 3.16Å |
| 273 | S | 80.9 | Confident | 78.5 | Confident | 62 Ų | 62 | 70.9 Ų | 70.9 | 43% | 0.434 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -71.4 | -35.5 | 180 | 64.3 | 0 | 0 | 0 | 0 | 113.4 | P269 Q270 L271 N277 | P269-S273 PolarHBondContact O-N 3.46Å; P269-S273 PolarHBondContact O-OG 2.89Å; Q270-S273 PolarHBondContact O-N 2.9Å; Q270-S273 PolarHBondContact O-OG 3.31Å; Q270-S273 VanDerWaalsContact O-OG 3.09Å; L271-S273 PolarHBondContact O-N 2.87Å; S273-N277 WeakPolarHBondContact O-CB 3.38Å; S273-N277 VanDerWaalsContact O-CG 3.3Å; S273-N277 PolarHBondContact O-N 2.8Å; S273-N277 PolarHBondContact O-ND2 3.13Å |
| 274 | F | 79.6 | Confident | 78.5 | Confident | 55 Ų | 55 | 73.5 Ų | 73.5 | 24% | 0.241 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -58.8 | -50.4 | 172.3 | 175.7 | -95.9 | 0 | 0 | 0 | 111.6 | L156 Q270 L271 V276 N277 Q278 | L156-F274 HydrophobicContact CD1-CZ 4.26Å; Q270-F274 WeakPolarHBondContact O-CB 3.4Å; Q270-F274 PolarHBondContact O-N 3.36Å; L271-F274 HydrophobicContact CD1-CD1 4.45Å; L271-F274 PolarHBondContact O-N 2.82Å; F274-V276 PolarHBondContact O-N 3.5Å; F274-N277 PolarHBondContact O-N 2.82Å; F274-Q278 HydrophobicContact CD1-CG 4.12Å; F274-Q278 HydrophobicContact CD2-CG 4.34Å; F274-Q278 HydrophobicContact CE1-CG 3.86Å; F274-Q278 HydrophobicContact CE2-CG 4.1Å; F274-Q278 VanDerWaalsContact CE2-NE2 3.33Å; F274-Q278 HydrophobicContact CG-CG 4.37Å; F274-Q278 HydrophobicContact CZ-CG 3.86Å; F274-Q278 VanDerWaalsContact CZ-NE2 3.29Å; F274-Q278 VanDerWaalsContact O-CG 3.3Å; F274-Q278 WeakPolarHBondContact O-CG 3.39Å; F274-Q278 PolarHBondContact O-N 2.95Å |
| 275 | I | 76.6 | Confident | 78.5 | Confident | 25 Ų | 25 | 74.1 Ų | 74.1 | 13% | 0.128 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.2 | -46.4 | 179.9 | -68.2 | -65 | 0 | 0 | 0 | 111.3 | L222 V224 L271 N277 Q278 L279 | L222-I275 HydrophobicContact CD1-CG1 4.18Å; L222-I275 HydrophobicContact CD2-CD1 4.38Å; L222-I275 HydrophobicContact CD2-CG1 4.12Å; L222-I275 HydrophobicContact CD2-CG2 4.19Å; V224-I275 HydrophobicContact CG2-CG2 4.44Å; L271-I275 HydrophobicContact CD1-CD1 4.41Å; L271-I275 HydrophobicContact CD1-CG1 4.04Å; L271-I275 HydrophobicContact CG-CG1 4.35Å; L271-I275 WeakPolarHBondContact O-CB 3.3Å; L271-I275 VanDerWaalsContact O-CG1 3.32Å; L271-I275 WeakPolarHBondContact O-CG1 3.27Å; L271-I275 PolarHBondContact O-N 2.99Å; I275-N277 VanDerWaalsContact C-N 3.31Å; I275-N277 PolarHBondContact O-N 3.14Å; I275-Q278 PolarHBondContact O-N 3.37Å; I275-L279 HydrophobicContact CG2-CD1 3.75Å; I275-L279 HydrophobicContact CG2-CG 4.17Å; I275-L279 WeakPolarHBondContact O-CB 3.42Å; I275-L279 VanDerWaalsContact O-CG 3.27Å; I275-L279 WeakPolarHBondContact O-CG 3.42Å; I275-L279 PolarHBondContact O-N 3Å |
| 276 | V | 79.6 | Confident | 78.5 | Confident | 30 Ų | 30 | 73.5 Ų | 73.5 | 18% | 0.182 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -58.9 | -43.4 | 177.4 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | F257 V259 T272 F274 L279 K280 | F257-V276 HydrophobicContact CB-CG2 4.04Å; F257-V276 HydrophobicContact CD2-CG1 4.31Å; V259-V276 HydrophobicContact CB-CG2 4.22Å; V259-V276 HydrophobicContact CG2-CG2 3.66Å; T272-V276 WeakPolarHBondContact O-CG2 3.46Å; T272-V276 PolarHBondContact O-N 2.85Å; T272-V276 VanDerWaalsContact O-N 3.16Å; F274-V276 PolarHBondContact O-N 3.5Å; V276-L279 PolarHBondContact O-N 3.19Å; V276-K280 WeakPolarHBondContact O-CG 3.3Å; V276-K280 PolarHBondContact O-N 3.15Å |
| 277 | N | 81.9 | Confident | 78.4 | Confident | 98 Ų | 98 | 64.7 Ų | 64.7 | 52% | 0.524 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.1 | -39 | 178.8 | -73.8 | -28.7 | 0 | 0 | 0 | 112.9 | S273 F274 I275 R281 | S273-N277 WeakPolarHBondContact O-CB 3.38Å; S273-N277 VanDerWaalsContact O-CG 3.3Å; S273-N277 PolarHBondContact O-N 2.8Å; S273-N277 PolarHBondContact O-ND2 3.13Å; F274-N277 PolarHBondContact O-N 2.82Å; I275-N277 VanDerWaalsContact C-N 3.31Å; I275-N277 PolarHBondContact O-N 3.14Å; N277-R281 VanDerWaalsContact O-CB 3.27Å; N277-R281 WeakPolarHBondContact O-CB 3.37Å; N277-R281 PolarHBondContact O-N 2.97Å |
| 278 | Q | 75.7 | Confident | 78.7 | Confident | 30 Ų | 30 | 59.8 Ų | 59.8 | 14% | 0.14 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.7 | -40.8 | 174 | -65.2 | -70.3 | 22.5 | 0 | 0 | 111.5 | F274 I275 K280 R281 V282 | F274-Q278 HydrophobicContact CD1-CG 4.12Å; F274-Q278 HydrophobicContact CD2-CG 4.34Å; F274-Q278 HydrophobicContact CE1-CG 3.86Å; F274-Q278 HydrophobicContact CE2-CG 4.1Å; F274-Q278 VanDerWaalsContact CE2-NE2 3.33Å; F274-Q278 HydrophobicContact CG-CG 4.37Å; F274-Q278 HydrophobicContact CZ-CG 3.86Å; F274-Q278 VanDerWaalsContact CZ-NE2 3.29Å; F274-Q278 VanDerWaalsContact O-CG 3.3Å; F274-Q278 WeakPolarHBondContact O-CG 3.39Å; F274-Q278 PolarHBondContact O-N 2.95Å; I275-Q278 PolarHBondContact O-N 3.37Å; Q278-K280 PolarHBondContact O-N 2.72Å; Q278-R281 PolarHBondContact O-N 3Å; Q278-V282 WeakPolarHBondContact O-CB 3.38Å; Q278-V282 VanDerWaalsContact O-CG2 3.23Å; Q278-V282 WeakPolarHBondContact O-CG2 3.41Å; Q278-V282 PolarHBondContact O-N 2.85Å |
| 279 | L | 73.3 | Confident | 79 | Confident | 13 Ų | 13 | 60 Ų | 60 | 7% | 0.068 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.1 | -48.5 | 175.4 | -73.9 | 172.1 | 0 | 0 | 0 | 111.1 | V224 F257 I275 V276 V282 I283 | V224-L279 HydrophobicContact CG1-CD1 4.24Å; F257-L279 HydrophobicContact CD1-CD1 4.1Å; F257-L279 HydrophobicContact CE1-CD1 3.86Å; F257-L279 HydrophobicContact CE2-CB 3.8Å; F257-L279 HydrophobicContact CE2-CD1 4.34Å; F257-L279 HydrophobicContact CG-CD1 4.44Å; F257-L279 HydrophobicContact CZ-CB 3.82Å; F257-L279 HydrophobicContact CZ-CD1 3.99Å; F257-L279 HydrophobicContact CZ-CG 4.41Å; I275-L279 HydrophobicContact CG2-CD1 3.75Å; I275-L279 HydrophobicContact CG2-CG 4.17Å; I275-L279 WeakPolarHBondContact O-CB 3.42Å; I275-L279 VanDerWaalsContact O-CG 3.27Å; I275-L279 WeakPolarHBondContact O-CG 3.42Å; I275-L279 PolarHBondContact O-N 3Å; V276-L279 PolarHBondContact O-N 3.19Å; L279-V282 PolarHBondContact O-N 3.44Å; L279-I283 WeakPolarHBondContact O-CD1 3.46Å; L279-I283 VanDerWaalsContact O-CG1 3.29Å; L279-I283 WeakPolarHBondContact O-CG1 3.42Å; L279-I283 PolarHBondContact O-N 3.31Å; L279-I283 VanDerWaalsContact O-N 3.14Å |
| 280 | K | 80.3 | Confident | 79.3 | Confident | 94 Ų | 94 | 60.3 Ų | 60.3 | 41% | 0.409 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.9 | -46.9 | 175.7 | -70.3 | -169.5 | 177.3 | -161.4 | 0 | 112.4 | V255 F257 V276 Q278 V282 I283 K284 | V255-K280 WeakPolarHBondContact O-CE 3.32Å; V255-K280 PolarHBondContact O-NZ 2.76Å; F257-K280 HydrophobicContact CE2-CG 4.21Å; V276-K280 WeakPolarHBondContact O-CG 3.3Å; V276-K280 PolarHBondContact O-N 3.15Å; Q278-K280 PolarHBondContact O-N 2.72Å; K280-V282 VanDerWaalsContact C-N 3.3Å; K280-V282 PolarHBondContact O-N 2.99Å; K280-I283 PolarHBondContact O-N 2.97Å; K280-K284 PolarHBondContact O-N 3.46Å |
| 281 | R | 80 | Confident | 79.4 | Confident | 150 Ų | 150 | 56.1 Ų | 56.1 | 57% | 0.566 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -56.6 | -41.5 | 176.1 | 178.7 | -177 | -72.2 | 147.6 | -8 | 112.7 | N277 Q278 K284 K285 | N277-R281 VanDerWaalsContact O-CB 3.27Å; N277-R281 WeakPolarHBondContact O-CB 3.37Å; N277-R281 PolarHBondContact O-N 2.97Å; Q278-R281 PolarHBondContact O-N 3Å; R281-K284 PolarHBondContact O-N 3.38Å; R281-K285 WeakPolarHBondContact O-CB 3.2Å; R281-K285 PolarHBondContact O-N 3.35Å |
| 282 | V | 74.6 | Confident | 79.8 | Confident | 28 Ų | 28 | 57 Ų | 57 | 17% | 0.17 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -75.9 | -31.6 | -176.7 | 175.2 | 0 | 0 | 0 | 0 | 112.4 | M1 Q278 L279 K280 K285 K286 | M1-V282 HydrophobicContact CE-CG1 4.01Å; M1-V282 HydrophobicContact CG-CG1 3.85Å; M1-V282 HydrophobicContact SD-CG1 3.33Å; M1-V282 WeakPolarHBondContact SD-CG1 3.12Å; Q278-V282 WeakPolarHBondContact O-CB 3.38Å; Q278-V282 VanDerWaalsContact O-CG2 3.23Å; Q278-V282 WeakPolarHBondContact O-CG2 3.41Å; Q278-V282 PolarHBondContact O-N 2.85Å; L279-V282 PolarHBondContact O-N 3.44Å; K280-V282 VanDerWaalsContact C-N 3.3Å; K280-V282 PolarHBondContact O-N 2.99Å; V282-K285 PolarHBondContact O-N 2.81Å; V282-K286 HydrophobicContact CG1-CG 4.01Å; V282-K286 WeakPolarHBondContact O-CB 3.48Å; V282-K286 WeakPolarHBondContact O-CG 3.49Å; V282-K286 PolarHBondContact O-N 3.43Å |
| 283 | I | 74.5 | Confident | 79.9 | Confident | 9 Ų | 9 | 57.8 Ų | 57.8 | 5% | 0.046 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.3 | -53.7 | 169.2 | -64.9 | 155.3 | 0 | 0 | 0 | 108.9 | L4 P253 V255 F257 L279 K280 K285 K286 H287 T288 | L4-I283 HydrophobicContact CB-CD1 4.5Å; L4-I283 HydrophobicContact CB-CG1 4.09Å; L4-I283 HydrophobicContact CD1-CD1 3.38Å; L4-I283 HydrophobicContact CD1-CG1 3.72Å; L4-I283 HydrophobicContact CD1-CG2 4.25Å; P253-I283 HydrophobicContact CG-CG2 3.82Å; V255-I283 HydrophobicContact CG2-CD1 4.34Å; F257-I283 HydrophobicContact CE2-CD1 4.36Å; F257-I283 HydrophobicContact CZ-CD1 4.21Å; L279-I283 WeakPolarHBondContact O-CD1 3.46Å; L279-I283 VanDerWaalsContact O-CG1 3.29Å; L279-I283 WeakPolarHBondContact O-CG1 3.42Å; L279-I283 PolarHBondContact O-N 3.31Å; L279-I283 VanDerWaalsContact O-N 3.14Å; K280-I283 PolarHBondContact O-N 2.97Å; I283-K285 VanDerWaalsContact C-N 3.28Å; I283-K285 PolarHBondContact O-N 3.47Å; I283-K286 PolarHBondContact O-N 3.13Å; I283-H287 PolarHBondContact O-N 3.4Å; I283-T288 PolarHBondContact O-N 2.93Å |
| 284 | K | 82.1 | Confident | 80 | Confident | 104 Ų | 104 | 55 Ų | 55 | 45% | 0.452 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57.8 | -34.9 | 177.6 | -170.9 | 176.2 | -176 | 79 | 0 | 113.7 | D252 K280 R281 N291 | D252-K284 WeakPolarHBondContact OD1-CD 3.19Å; D252-K284 WeakPolarHBondContact OD1-CG 3.43Å; D252-K284 IonicContact OD1-NZ 3.53Å; D252-K284 PolarHBondContact OD1-NZ 2.75Å; D252-K284 IonicContact OD2-NZ 2.68Å; D252-K284 PolarHBondContact OD2-NZ 2.74Å; K280-K284 PolarHBondContact O-N 3.46Å; R281-K284 PolarHBondContact O-N 3.38Å; K284-N291 PolarHBondContact O-ND2 2.89Å |
| 285 | K | 79.6 | Confident | 80.1 | Confident | 139 Ų | 139 | 54.2 Ų | 54.2 | 60% | 0.604 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -82.3 | -19.2 | -179.8 | -175.3 | 169 | -179.1 | -178.8 | 0 | 114.9 | R281 V282 I283 N291 | R281-K285 WeakPolarHBondContact O-CB 3.2Å; R281-K285 PolarHBondContact O-N 3.35Å; V282-K285 PolarHBondContact O-N 2.81Å; I283-K285 VanDerWaalsContact C-N 3.28Å; I283-K285 PolarHBondContact O-N 3.47Å; K285-N291 WeakPolarHBondContact O-CB 3.46Å |
| 286 | K | 74.7 | Confident | 80.1 | Confident | 50 Ų | 50 | 54.4 Ų | 54.4 | 22% | 0.217 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -122.1 | -20.2 | -173.6 | -59.2 | -68.1 | -159.1 | -178.5 | 0 | 114.6 | E146 V282 I283 N291 K826 | E146-K286 WeakPolarHBondContact OE1-CE 3.39Å; E146-K286 IonicContact OE1-NZ 3.91Å; E146-K286 PolarHBondContact OE1-NZ 3.01Å; V282-K286 HydrophobicContact CG1-CG 4.01Å; V282-K286 WeakPolarHBondContact O-CB 3.48Å; V282-K286 WeakPolarHBondContact O-CG 3.49Å; V282-K286 PolarHBondContact O-N 3.43Å; I283-K286 PolarHBondContact O-N 3.13Å; K286-N291 CarbonylContact C-O 3.6Å; K286-K826 HydrophobicContact CD-CD 4.04Å |
| 287 | H | 79.3 | Confident | 79.8 | Confident | 7 Ų | 7 | 59.3 Ų | 59.3 | 3% | 0.032 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -142.2 | 10.8 | -168.8 | -65.7 | -58.3 | 0 | 0 | 0 | 114.4 | F247 S248 F249 I283 N291 | F247-H287 AromaticContact CE1-CE1 3.93Å; F247-H287 AromaticContact CE1-ND1 3.65Å; F247-H287 AromaticContact CZ-CE1 3.81Å; F247-H287 AromaticContact CZ-CG 3.99Å; F247-H287 AromaticContact CZ-ND1 3.33Å; F247-H287 VanDerWaalsContact CZ-ND1 3.33Å; F247-H287 WeakPolarHBondContact CZ-ND1 3.47Å; S248-H287 CarbonylContact C-O 3.53Å; S248-H287 WeakPolarHBondContact CA-O 3.44Å; F249-H287 WeakPolarHBondContact CD2-O 3.39Å; F249-H287 PolarHBondContact N-O 2.84Å; I283-H287 PolarHBondContact O-N 3.4Å; H287-N291 CarbonylContact C-O 3.6Å; H287-N291 PolarHBondContact N-O 3.14Å |
| 288 | T | 86.6 | Confident | 78.8 | Confident | 4 Ų | 4 | 55.6 Ų | 55.6 | 3% | 0.025 | 26% | 0.257 | C | S | . | . | B | Isolated β-bridge | trans | -123.6 | 137 | 171.9 | -58.5 | 0 | 0 | 0 | 0 | 108.6 | F249 D251 I283 N291 | F249-T288 WeakPolarHBondContact O-CA 3.4Å; D251-T288 VanDerWaalsContact O-CG2 3.31Å; D251-T288 WeakPolarHBondContact O-CG2 3.47Å; I283-T288 PolarHBondContact O-N 2.93Å; T288-N291 CarbonylContact C-O 3.5Å; T288-N291 PolarHBondContact N-O 3.43Å; T288-N291 WeakPolarHBondContact O-CA 3.49Å; T288-N291 WeakPolarHBondContact O-CB 3.42Å; T288-N291 PolarHBondContact O-N 3.18Å; T288-N291 PolarHBondContact O-ND2 3.04Å |
| 289 | L | 85.7 | Confident | 78.5 | Confident | 61 Ų | 61 | 57.7 Ų | 57.7 | 32% | 0.319 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 141.6 | -176.7 | -71.7 | -179.7 | 0 | 0 | 0 | 112.2 | S248 F249 L250 N291 | S248-L289 VanDerWaalsContact OG-CD2 3.29Å; S248-L289 WeakPolarHBondContact OG-CD2 3.42Å; F249-L289 PolarHBondContact O-N 3.25Å; L250-L289 HydrophobicContact CD2-CD1 3.84Å; L289-N291 VanDerWaalsContact C-N 3.33Å |
| 290 | P | 85 | Confident | 78.7 | Confident | 100 Ų | 100 | 59.3 Ų | 59.3 | 65% | 0.649 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -77.7 | -1.7 | 4.9 | 32.8 | -37.3 | 0 | 0 | 0 | 115.3 | Y292 H825 | P290-Y292 WeakPolarHBondContact O-CD1 3.39Å; P290-Y292 PolarHBondContact O-N 2.82Å; P290-H825 PolarHBondContact O-CE1 3.09Å |
| 291 | N | 82.6 | Confident | 77.9 | Confident | 65 Ų | 65 | 59.6 Ų | 59.6 | 35% | 0.348 | 28% | 0.284 | S | S | . | . | trans | -86.5 | 114.3 | -173 | -48 | -88.9 | 0 | 0 | 0 | 112.4 | K284 K285 K286 H287 T288 L289 | K284-N291 PolarHBondContact O-ND2 2.89Å; K285-N291 WeakPolarHBondContact O-CB 3.46Å; K286-N291 CarbonylContact C-O 3.6Å; H287-N291 CarbonylContact C-O 3.6Å; H287-N291 PolarHBondContact N-O 3.14Å; T288-N291 CarbonylContact C-O 3.5Å; T288-N291 PolarHBondContact N-O 3.43Å; T288-N291 WeakPolarHBondContact O-CA 3.49Å; T288-N291 WeakPolarHBondContact O-CB 3.42Å; T288-N291 PolarHBondContact O-N 3.18Å; T288-N291 PolarHBondContact O-ND2 3.04Å; L289-N291 VanDerWaalsContact C-N 3.33Å | ||
| 292 | Y | 83.7 | Confident | 76.7 | Confident | 42 Ų | 42 | 58.6 Ų | 58.6 | 17% | 0.165 | 28% | 0.284 | C | S | . | . | trans | -127 | 165.4 | 172.5 | 63.9 | -90 | 0 | 0 | 0 | 112 | S246 P290 I294 H825 | S246-Y292 WeakPolarHBondContact OG-CD2 3.35Å; P290-Y292 WeakPolarHBondContact O-CD1 3.39Å; P290-Y292 PolarHBondContact O-N 2.82Å; Y292-I294 HydrophobicContact CD2-CG1 4.21Å; Y292-I294 HydrophobicContact CE2-CD1 4.3Å; Y292-I294 HydrophobicContact CE2-CG1 3.75Å; Y292-H825 AromaticContact CD1-CE1 3.31Å; Y292-H825 WeakPolarHBondContact CD1-CE1 3.29Å; Y292-H825 AromaticContact CD1-ND1 3.56Å; Y292-H825 AromaticContact CD2-ND1 3.8Å; Y292-H825 AromaticContact CE1-CE1 3.14Å; Y292-H825 WeakPolarHBondContact CE1-CE1 3.48Å; Y292-H825 AromaticContact CE1-ND1 3.55Å; Y292-H825 AromaticContact CE1-NE2 3.75Å; Y292-H825 AromaticContact CE2-ND1 3.8Å; Y292-H825 AromaticContact CG-CE1 3.92Å; Y292-H825 AromaticContact CG-ND1 3.68Å; Y292-H825 AromaticContact CZ-CE1 3.64Å; Y292-H825 AromaticContact CZ-ND1 3.66Å; Y292-H825 PolarHBondContact O-ND1 3.01Å | ||
| 293 | K | 82 | Confident | 75.7 | Confident | 47 Ų | 47 | 58.6 Ų | 58.6 | 20% | 0.204 | 28% | 0.282 | C | S | . | . | trans | -115.2 | 119 | 178.8 | -177.6 | 171.9 | -170.6 | -179.9 | 0 | 109.1 | E143 K826 | E143-K293 IonicContact OE1-NZ 2.81Å; E143-K293 PolarHBondContact OE1-NZ 2.8Å; K293-K826 HydrophobicContact CD-CB 4.4Å; K293-K826 HydrophobicContact CG-CB 3.99Å; K293-K826 WeakPolarHBondContact CG-O 3.03Å | ||
| 294 | I | 83.7 | Confident | 74.3 | Confident | 5 Ų | 5 | 61.3 Ų | 61.3 | 3% | 0.026 | 30% | 0.299 | C | S | . | . | trans | -69.5 | 140.4 | 178.3 | -70.5 | 175.3 | 0 | 0 | 0 | 109.9 | F242 H244 Y292 Y296 H825 K826 G827 F828 | F242-I294 HydrophobicContact CE2-CG2 3.85Å; F242-I294 HydrophobicContact CZ-CG2 4.15Å; H244-I294 HydrophobicContact CB-CG2 4.08Å; Y292-I294 HydrophobicContact CD2-CG1 4.21Å; Y292-I294 HydrophobicContact CE2-CD1 4.3Å; Y292-I294 HydrophobicContact CE2-CG1 3.75Å; I294-Y296 HydrophobicContact CG2-CE2 4.31Å; I294-H825 HydrophobicContact CD1-CB 4.12Å; I294-H825 HydrophobicContact CG1-CB 4.38Å; I294-K826 PolarHBondContact N-O 2.66Å; I294-G827 WeakPolarHBondContact CG2-O 3.47Å; I294-F828 HydrophobicContact CD1-CB 4.05Å; I294-F828 HydrophobicContact CD1-CD2 4.16Å | ||
| 295 | R | 80.5 | Confident | 72.4 | Confident | 38 Ų | 38 | 63.5 Ų | 63.5 | 14% | 0.143 | 31% | 0.311 | C | S | . | . | B | Isolated β-bridge | trans | -144.5 | 144.3 | -176.8 | -59.5 | -179.8 | 177.8 | -145.2 | -3.4 | 111.5 | S8 H244 W245 | S8-R295 VanDerWaalsContact CB-NH2 3.33Å; S8-R295 PolarHBondContact O-NH1 2.72Å; S8-R295 PolarHBondContact OG-NH2 3.01Å; H244-R295 WeakPolarHBondContact CA-O 3.48Å; H244-R295 WeakPolarHBondContact CB-O 3.41Å; W245-R295 HydrophobicContact CD2-CB 3.98Å; W245-R295 HydrophobicContact CG-CB 4.12Å; W245-R295 HydrophobicContact CZ2-CB 4.08Å; W245-R295 VanDerWaalsContact CZ2-CD 3.46Å; W245-R295 HydrophobicContact CZ2-CG 4.41Å; W245-R295 PolarHBondContact N-O 3.48Å; W245-R295 VanDerWaalsContact NE1-CB 3.34Å; W245-R295 WeakPolarHBondContact O-CB 3.22Å; W245-R295 PolarHBondContact O-N 2.71Å |
| 296 | Y | 77.6 | Confident | 70.2 | Confident | 29 Ų | 29 | 61.6 Ų | 61.6 | 11% | 0.114 | 31% | 0.313 | C | S | . | . | trans | -108.2 | -66.8 | 177.9 | -47.6 | -98.9 | 0 | 0 | 0 | 109.1 | F242 W245 I294 F299 F300 G827 L832 | F242-Y296 HydrophobicContact CD2-CD1 4.32Å; F242-Y296 AromaticContact CD2-CE1 3.49Å; F242-Y296 HydrophobicContact CD2-CE1 3.49Å; F242-Y296 VanDerWaalsContact CD2-CE1 3.49Å; F242-Y296 HydrophobicContact CE2-CD1 4.34Å; F242-Y296 AromaticContact CE2-CE1 3.32Å; F242-Y296 HydrophobicContact CE2-CE1 3.32Å; F242-Y296 AromaticContact CE2-CZ 3.56Å; F242-Y296 VanDerWaalsContact CE2-OH 3.26Å; F242-Y296 WeakPolarHBondContact CE2-OH 3.37Å; F242-Y296 HydrophobicContact CG-CE1 4.43Å; F242-Y296 HydrophobicContact CZ-CE1 4.12Å; F242-Y296 WeakPolarHBondContact CZ-OH 3.41Å; W245-Y296 PolarHBondContact NE1-O 2.96Å; I294-Y296 HydrophobicContact CG2-CE2 4.31Å; Y296-F299 PolarHBondContact O-N 2.83Å; Y296-F300 CarbonylContact C-O 3.58Å; Y296-F300 PolarHBondContact O-N 3.01Å; Y296-G827 VanDerWaalsContact CE2-O 3.32Å; Y296-G827 WeakPolarHBondContact CE2-O 3.39Å; Y296-G827 PolarHBondContact OH-O 3.36Å; Y296-L832 HydrophobicContact CE1-CD1 3.59Å | ||
| 297 | K | 71.8 | Confident | 68.4 | Low | 133 Ų | 133 | 64.5 Ų | 64.5 | 58% | 0.578 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 137.6 | 173.9 | -61.3 | -171.6 | -179.9 | -174.6 | 0 | 110.5 | W245 F300 | W245-K297 PolarHBondContact NE1-O 3.18Å; K297-F300 PolarHBondContact N-O 3.02Å |
| 298 | P | 60.8 | Low | 66.8 | Low | 19 Ų | 19 | 69.7 Ų | 69.7 | 12% | 0.123 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -91.3 | -24.8 | 6.8 | 34.7 | -33.9 | 0 | 0 | 0 | 115.3 | V15 T16 L19 F300 | V15-P298 HydrophobicContact CG1-CG 3.94Å; T16-P298 HydrophobicContact CG2-CB 4.07Å; T16-P298 WeakPolarHBondContact OG1-CD 3.39Å; L19-P298 HydrophobicContact CB-CB 3.77Å; L19-P298 HydrophobicContact CB-CG 4.17Å; L19-P298 HydrophobicContact CD1-CG 4.41Å; L19-P298 HydrophobicContact CD2-CB 4.11Å; L19-P298 HydrophobicContact CD2-CG 4.16Å; L19-P298 HydrophobicContact CG-CB 4.45Å; L19-P298 HydrophobicContact CG-CG 4.48Å; P298-F300 VanDerWaalsContact C-N 3.28Å; P298-F300 PolarHBondContact O-N 2.99Å |
| 299 | F | 69.4 | Low | 64.4 | Low | 75 Ų | 75 | 72.7 Ų | 72.7 | 33% | 0.329 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -33.5 | -168.6 | -57.4 | -78.8 | 0 | 0 | 0 | 113.4 | V15 L19 F237 W245 Y296 | V15-F299 HydrophobicContact CG1-CE1 4.09Å; V15-F299 HydrophobicContact CG1-CE2 3.77Å; V15-F299 HydrophobicContact CG1-CZ 3.33Å; L19-F299 HydrophobicContact CD1-CD1 4.18Å; L19-F299 HydrophobicContact CD1-CE1 3.83Å; L19-F299 HydrophobicContact CD2-CB 4.45Å; L19-F299 HydrophobicContact CD2-CD1 3.54Å; L19-F299 HydrophobicContact CD2-CE1 4.07Å; L19-F299 HydrophobicContact CD2-CG 4.15Å; F237-F299 HydrophobicContact CE1-CD1 4.16Å; F237-F299 AromaticContact CE1-CD2 3.71Å; F237-F299 HydrophobicContact CE1-CD2 3.71Å; F237-F299 HydrophobicContact CE1-CE1 4.1Å; F237-F299 AromaticContact CE1-CE2 3.64Å; F237-F299 HydrophobicContact CE1-CE2 3.64Å; F237-F299 AromaticContact CE1-CG 3.96Å; F237-F299 HydrophobicContact CE1-CG 3.96Å; F237-F299 AromaticContact CE1-CZ 3.83Å; F237-F299 HydrophobicContact CE1-CZ 3.83Å; F237-F299 HydrophobicContact CZ-CE1 4.39Å; F237-F299 HydrophobicContact CZ-CE2 4.06Å; F237-F299 AromaticContact CZ-CZ 3.95Å; F237-F299 HydrophobicContact CZ-CZ 3.95Å; W245-F299 HydrophobicContact CB-CD2 4.46Å; W245-F299 AromaticContact CD1-CD2 3.64Å; W245-F299 HydrophobicContact CD2-CD2 4.12Å; W245-F299 HydrophobicContact CD2-CE2 4.05Å; W245-F299 AromaticContact CG-CD2 3.86Å; W245-F299 HydrophobicContact CG-CD2 3.86Å; W245-F299 HydrophobicContact CG-CE2 4.21Å; W245-F299 AromaticContact NE1-CD2 3.75Å; Y296-F299 PolarHBondContact O-N 2.83Å |
| 300 | F | 77.7 | Confident | 62.2 | Low | 46 Ų | 46 | 74.4 Ų | 74.4 | 20% | 0.202 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -113.2 | 135.9 | 179.5 | -48.9 | -68.3 | 0 | 0 | 0 | 109.2 | F237 S243 W245 Y296 K297 P298 | F237-F300 HydrophobicContact CD1-CE2 4.46Å; F237-F300 HydrophobicContact CD1-CZ 4.43Å; S243-F300 WeakPolarHBondContact O-CD2 3.47Å; S243-F300 WeakPolarHBondContact O-CG 3.41Å; W245-F300 HydrophobicContact CB-CE2 4.28Å; Y296-F300 CarbonylContact C-O 3.58Å; Y296-F300 PolarHBondContact O-N 3.01Å; K297-F300 PolarHBondContact N-O 3.02Å; P298-F300 VanDerWaalsContact C-N 3.28Å; P298-F300 PolarHBondContact O-N 2.99Å |
| 301 | P | 64.3 | Low | 60.1 | Low | 100 Ų | 100 | 72.1 Ų | 72.1 | 65% | 0.649 | 40% | 0.403 | S | S | * | . | trans | -59.5 | 165.4 | 174.1 | 27 | -34.5 | 0 | 0 | 0 | 110.3 | Q303 | P301-Q303 PolarHBondContact O-N 2.9Š| ||
| 302 | F | 54.4 | Low | 58 | Low | 129 Ų | 129 | 72.7 Ų | 72.7 | 57% | 0.566 | 41% | 0.411 | S | S | * | . | trans | -70 | 106.2 | 171.9 | -166.2 | -119.1 | 0 | 0 | 0 | 107.8 | V304 | F302-V304 HydrophobicContact CD1-CB 3.89Å; F302-V304 HydrophobicContact CD1-CG2 4.41Å; F302-V304 HydrophobicContact CE1-CB 3.65Å; F302-V304 HydrophobicContact CE1-CG1 4.4Å; F302-V304 HydrophobicContact CE1-CG2 3.86Å; F302-V304 HydrophobicContact CZ-CB 4.35Å; F302-V304 HydrophobicContact CZ-CG2 4.05Å; F302-V304 PolarHBondContact O-N 2.91Å; F302-V304 VanDerWaalsContact O-N 3.12Å | ||
| 303 | Q | 54 | Low | 56.3 | Low | 28 Ų | 28 | 76.2 Ų | 76.2 | 13% | 0.131 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -74.5 | 2.1 | -167.9 | -79.4 | -175.8 | -18.4 | 0 | 0 | 115 | P301 Q305 L832 | P301-Q303 PolarHBondContact O-N 2.9Å; Q303-Q305 PolarHBondContact O-N 3.19Å; Q303-L832 HydrophobicContact CB-CD1 4.12Å; Q303-L832 HydrophobicContact CB-CD2 3.98Å |
| 304 | V | 45.3 | Very low | 54.9 | Low | 67 Ų | 67 | 79.1 Ų | 79.1 | 41% | 0.406 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -79.8 | 104.1 | 159.1 | -178.7 | 0 | 0 | 0 | 0 | 105.7 | F302 | F302-V304 HydrophobicContact CD1-CB 3.89Å; F302-V304 HydrophobicContact CD1-CG2 4.41Å; F302-V304 HydrophobicContact CE1-CB 3.65Å; F302-V304 HydrophobicContact CE1-CG1 4.4Å; F302-V304 HydrophobicContact CE1-CG2 3.86Å; F302-V304 HydrophobicContact CZ-CB 4.35Å; F302-V304 HydrophobicContact CZ-CG2 4.05Å; F302-V304 PolarHBondContact O-N 2.91Å; F302-V304 VanDerWaalsContact O-N 3.12Å |
| 305 | Q | 41.3 | Very low | 53.5 | Low | 149 Ų | 149 | 82.5 Ų | 82.5 | 70% | 0.696 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -48.3 | 137 | 155.8 | -79.2 | 171.6 | -43.7 | 0 | 0 | 106.8 | Q303 | Q303-Q305 PolarHBondContact O-N 3.19Š|
| 306 | P | 33.5 | Very low | 52.8 | Low | 100 Ų | 100 | 84.3 Ų | 84.3 | 65% | 0.649 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 140.9 | 165.3 | 27.9 | -33.6 | 0 | 0 | 0 | 107.2 | L308 | P306-L308 PolarHBondContact O-N 3.2Š|
| 307 | P | 37.9 | Very low | 52.1 | Low | 111 Ų | 111 | 86.5 Ų | 86.5 | 72% | 0.721 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -52.9 | 144.3 | 161.2 | 27.1 | -33.6 | 0 | 0 | 0 | 107.1 | G309 | P307-G309 PolarHBondContact O-N 3.22Š|
| 308 | L | 46.1 | Very low | 51.5 | Low | 115 Ų | 115 | 83.8 Ų | 83.8 | 60% | 0.602 | 49% | 0.494 | S | S | * | . | trans | -70.9 | 66.7 | 171.7 | -88.1 | 63 | 0 | 0 | 0 | 108.7 | P306 S310 A311 P783 | P306-L308 PolarHBondContact O-N 3.2Å; L308-S310 PolarHBondContact O-N 3.43Å; L308-S310 VanDerWaalsContact O-N 3.1Å; L308-A311 HydrophobicContact CB-CB 4.35Å; L308-A311 HydrophobicContact CD2-CB 4.4Å; L308-A311 PolarHBondContact O-N 2.95Å; L308-P783 HydrophobicContact CD2-CG 4.16Å | ||
| 309 | G | 36 | Very low | 51.2 | Low | 68 Ų | 68 | 91.8 Ų | 91.8 | 70% | 0.701 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | 99.2 | 176 | 0 | 0 | 0 | 0 | 0 | 107.7 | P307 | P307-G309 PolarHBondContact O-N 3.22Š|
| 310 | S | 39 | Very low | 50.6 | Low | 97 Ų | 97 | 96.1 Ų | 96.1 | 68% | 0.678 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 53.9 | 74.7 | -157.5 | -163 | 0 | 0 | 0 | 0 | 112.1 | L308 C312 | L308-S310 PolarHBondContact O-N 3.43Å; L308-S310 VanDerWaalsContact O-N 3.1Å; S310-C312 VanDerWaalsContact C-N 3.3Å; S310-C312 PolarHBondContact O-N 3.43Å; S310-C312 PolarHBondContact OG-N 3.08Å |
| 311 | A | 40.3 | Very low | 49.8 | Very low | 52 Ų | 52 | 96.6 Ų | 96.6 | 43% | 0.43 | 57% | 0.565 | S | S | . | * | -53.7 | 114.7 | 118.9 | 0 | 0 | 0 | 0 | 0 | 105.9 | L308 D313 | L308-A311 HydrophobicContact CB-CB 4.35Å; L308-A311 HydrophobicContact CD2-CB 4.4Å; L308-A311 PolarHBondContact O-N 2.95Å; A311-D313 PolarHBondContact O-N 3.48Å | |||
| 312 | C | 39.6 | Very low | 50 | Low | 77 Ų | 77 | 95.3 Ų | 95.3 | 52% | 0.52 | 55% | 0.548 | S | S | . | . | trans | -56.9 | 137.5 | 160.3 | -64.9 | 0 | 0 | 0 | 0 | 105.9 | S310 L314 | S310-C312 VanDerWaalsContact C-N 3.3Å; S310-C312 PolarHBondContact O-N 3.43Å; S310-C312 PolarHBondContact OG-N 3.08Å; C312-L314 HydrophobicContact CB-CB 4.37Å; C312-L314 HydrophobicContact CB-CD1 3.94Å; C312-L314 PolarHBondContact O-N 2.95Å | ||
| 313 | D | 47.3 | Very low | 51 | Low | 115 Ų | 115 | 90.5 Ų | 90.5 | 62% | 0.615 | 53% | 0.528 | S | S | * | . | trans | -74.4 | 64 | 174.9 | -134.7 | 29.4 | 0 | 0 | 0 | 107.6 | A311 D315 K757 | A311-D313 PolarHBondContact O-N 3.48Å; D313-D315 VanDerWaalsContact C-N 3.28Å; D313-D315 PolarHBondContact O-N 3.49Å; D313-K757 IonicContact OD1-NZ 3.65Å; D313-K757 PolarHBondContact OD1-NZ 3.31Å; D313-K757 IonicContact OD2-NZ 2.77Å; D313-K757 PolarHBondContact OD2-NZ 2.85Å | ||
| 314 | L | 53.1 | Low | 52.2 | Low | 109 Ų | 109 | 89.7 Ų | 89.7 | 57% | 0.571 | 53% | 0.525 | S | S | * | . | trans | -83.2 | 83.6 | -175.6 | -136.1 | 77.4 | 0 | 0 | 0 | 105.1 | C312 L316 | C312-L314 HydrophobicContact CB-CB 4.37Å; C312-L314 HydrophobicContact CB-CD1 3.94Å; C312-L314 PolarHBondContact O-N 2.95Å; L314-L316 HydrophobicContact CD2-CD2 4.14Å; L314-L316 HydrophobicContact CD2-CG 4.47Å; L314-L316 PolarHBondContact O-N 3.46Å | ||
| 315 | D | 54.8 | Low | 54 | Low | 76 Ų | 76 | 89.3 Ų | 89.3 | 41% | 0.406 | 52% | 0.518 | S | S | . | . | trans | -62.3 | 74 | 170.6 | -81.3 | -19.3 | 0 | 0 | 0 | 109.1 | D313 S317 R322 | D313-D315 VanDerWaalsContact C-N 3.28Å; D313-D315 PolarHBondContact O-N 3.49Å; D315-S317 PolarHBondContact O-N 2.91Å; D315-R322 VanDerWaalsContact CG-NH1 3.29Å; D315-R322 IonicContact OD1-CZ 3.43Å; D315-R322 IonicContact OD1-NH1 2.72Å; D315-R322 PolarHBondContact OD1-NH1 2.57Å; D315-R322 IonicContact OD1-NH2 3.61Å; D315-R322 PolarHBondContact OD1-NH2 3Å; D315-R322 IonicContact OD2-CZ 3.19Å; D315-R322 IonicContact OD2-NH1 3.43Å; D315-R322 IonicContact OD2-NH2 2.57Å; D315-R322 PolarHBondContact OD2-NH2 2.6Å | ||
| 316 | L | 63.9 | Low | 56.1 | Low | 75 Ų | 75 | 84 Ų | 84 | 39% | 0.393 | 50% | 0.503 | S | S | . | . | trans | -63.2 | 118.4 | 176.1 | -72.8 | 171.9 | 0 | 0 | 0 | 107.3 | L314 L323 L789 | L314-L316 HydrophobicContact CD2-CD2 4.14Å; L314-L316 HydrophobicContact CD2-CG 4.47Å; L314-L316 PolarHBondContact O-N 3.46Å; L316-L323 HydrophobicContact CB-CB 4.11Å; L316-L323 HydrophobicContact CB-CD2 4.1Å; L316-L323 HydrophobicContact CD1-CD2 4.01Å; L316-L323 WeakPolarHBondContact O-CB 3.31Å; L316-L323 PolarHBondContact O-N 3.45Å; L316-L789 HydrophobicContact CD1-CD1 4.37Å; L316-L789 HydrophobicContact CD1-CD2 4.21Å | ||
| 317 | S | 63.1 | Low | 58.7 | Low | 76 Ų | 76 | 84 Ų | 84 | 53% | 0.531 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 149.8 | 173.9 | 59.8 | 0 | 0 | 0 | 0 | 110.9 | D315 S321 | D315-S317 PolarHBondContact O-N 2.91Å; S317-S321 CarbonylContact C-O 3.59Å; S317-S321 WeakPolarHBondContact CA-O 3.46Å; S317-S321 WeakPolarHBondContact CB-O 3.13Å |
| 318 | V | 60.9 | Low | 61.2 | Low | 76 Ų | 76 | 78.7 Ų | 78.7 | 46% | 0.461 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 116.5 | 172 | 177 | 0 | 0 | 0 | 0 | 106.3 | D320 S321 L323 | V318-D320 PolarHBondContact O-N 3.4Å; V318-S321 PolarHBondContact N-O 2.89Å; V318-S321 PolarHBondContact O-N 3.22Å; V318-S321 PolarHBondContact O-OG 3.43Å; V318-L323 HydrophobicContact CG2-CD1 3.59Å |
| 319 | Q | 53.1 | Low | 63.5 | Low | 186 Ų | 186 | 76.5 Ų | 76.5 | 87% | 0.869 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 51.9 | 179.6 | -55.2 | 177.5 | 27.4 | 0 | 0 | 112.1 | S321 | Q319-S321 PolarHBondContact O-N 2.77Š|
| 320 | D | 56.8 | Low | 66.2 | Low | 166 Ų | 166 | 73.2 Ų | 73.2 | 89% | 0.888 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.6 | -5.1 | 178.5 | -54.7 | -36.2 | 0 | 0 | 0 | 117.5 | V318 | V318-D320 PolarHBondContact O-N 3.4Š|
| 321 | S | 61.9 | Low | 68.7 | Low | 56 Ų | 56 | 70.2 Ų | 70.2 | 39% | 0.392 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 149.9 | 165 | 60.3 | 0 | 0 | 0 | 0 | 112.8 | S317 V318 Q319 E325 | S317-S321 CarbonylContact C-O 3.59Å; S317-S321 WeakPolarHBondContact CA-O 3.46Å; S317-S321 WeakPolarHBondContact CB-O 3.13Å; V318-S321 PolarHBondContact N-O 2.89Å; V318-S321 PolarHBondContact O-N 3.22Å; V318-S321 PolarHBondContact O-OG 3.43Å; Q319-S321 PolarHBondContact O-N 2.77Å; S321-E325 WeakPolarHBondContact CA-OE2 3.33Å; S321-E325 WeakPolarHBondContact CB-OE2 3.32Å |
| 322 | R | 68.6 | Low | 71.2 | Confident | 74 Ų | 74 | 67.8 Ų | 67.8 | 28% | 0.279 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 146.5 | 174.1 | -62.1 | 171.6 | 165.6 | -99.7 | -18.4 | 110.7 | D315 V324 E325 | D315-R322 VanDerWaalsContact CG-NH1 3.29Å; D315-R322 IonicContact OD1-CZ 3.43Å; D315-R322 IonicContact OD1-NH1 2.72Å; D315-R322 PolarHBondContact OD1-NH1 2.57Å; D315-R322 IonicContact OD1-NH2 3.61Å; D315-R322 PolarHBondContact OD1-NH2 3Å; D315-R322 IonicContact OD2-CZ 3.19Å; D315-R322 IonicContact OD2-NH1 3.43Å; D315-R322 IonicContact OD2-NH2 2.57Å; D315-R322 PolarHBondContact OD2-NH2 2.6Å; R322-V324 HydrophobicContact CB-CG2 4.23Å; R322-V324 PolarHBondContact O-N 3.39Å; R322-E325 HydrophobicContact CB-CG 4.04Å; R322-E325 WeakPolarHBondContact CB-OE1 3.24Å; R322-E325 WeakPolarHBondContact CD-OE1 3.49Å; R322-E325 WeakPolarHBondContact CG-OE1 3.2Å; R322-E325 VanDerWaalsContact N-CD 3.29Å; R322-E325 PolarHBondContact N-OE1 2.87Å; R322-E325 PolarHBondContact N-OE2 3.5Å; R322-E325 WeakPolarHBondContact O-CB 3.22Å; R322-E325 PolarHBondContact O-N 2.77Å |
| 323 | L | 74.2 | Confident | 73.5 | Confident | 28 Ų | 28 | 66.6 Ų | 66.6 | 15% | 0.147 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -22.5 | -178.3 | -151.9 | 75 | 0 | 0 | 0 | 115.5 | L316 V318 A788 L789 M792 | L316-L323 HydrophobicContact CB-CB 4.11Å; L316-L323 HydrophobicContact CB-CD2 4.1Å; L316-L323 HydrophobicContact CD1-CD2 4.01Å; L316-L323 WeakPolarHBondContact O-CB 3.31Å; L316-L323 PolarHBondContact O-N 3.45Å; V318-L323 HydrophobicContact CG2-CD1 3.59Å; L323-A788 HydrophobicContact CG-CB 4.48Å; L323-A788 WeakPolarHBondContact O-CB 3.49Å; L323-L789 HydrophobicContact CD2-CD2 3.69Å; L323-L789 HydrophobicContact CD2-CG 3.85Å; L323-M792 HydrophobicContact CD1-CE 3.71Å; L323-M792 HydrophobicContact CD1-SD 3.72Å; L323-M792 HydrophobicContact CD2-CE 3.74Å; L323-M792 HydrophobicContact CG-CE 3.94Å; L323-M792 HydrophobicContact CG-SD 4.09Å |
| 324 | V | 79.9 | Confident | 75.6 | Confident | 10 Ų | 10 | 63.3 Ų | 63.3 | 6% | 0.061 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -10.2 | -177.9 | -62.3 | 0 | 0 | 0 | 0 | 113.4 | R322 V752 L784 E785 A788 Y843 | R322-V324 HydrophobicContact CB-CG2 4.23Å; R322-V324 PolarHBondContact O-N 3.39Å; V324-V752 HydrophobicContact CB-CG1 4.34Å; V324-V752 HydrophobicContact CG2-CG1 4.46Å; V324-V752 VanDerWaalsContact O-CB 3.25Å; V324-V752 WeakPolarHBondContact O-CB 3.14Å; V324-V752 WeakPolarHBondContact O-CG1 3.31Å; V324-L784 HydrophobicContact CB-CB 4.19Å; V324-L784 HydrophobicContact CG1-CB 3.83Å; V324-E785 HydrophobicContact CG1-CB 4.38Å; V324-E785 HydrophobicContact CG1-CG 3.98Å; V324-A788 HydrophobicContact CG1-CB 4.29Å; V324-Y843 WeakPolarHBondContact O-CE1 3.49Å; V324-Y843 PolarHBondContact O-OH 3.25Å |
| 325 | E | 83.1 | Confident | 77.3 | Confident | 59 Ų | 59 | 58.1 Ų | 58.1 | 28% | 0.276 | 31% | 0.308 | S | S | . | . | trans | -73.9 | 148.1 | -173.8 | -75.1 | 159.2 | -164.5 | 0 | 0 | 112.5 | S321 R322 V752 T754 | S321-E325 WeakPolarHBondContact CA-OE2 3.33Å; S321-E325 WeakPolarHBondContact CB-OE2 3.32Å; R322-E325 HydrophobicContact CB-CG 4.04Å; R322-E325 WeakPolarHBondContact CB-OE1 3.24Å; R322-E325 WeakPolarHBondContact CD-OE1 3.49Å; R322-E325 WeakPolarHBondContact CG-OE1 3.2Å; R322-E325 VanDerWaalsContact N-CD 3.29Å; R322-E325 PolarHBondContact N-OE1 2.87Å; R322-E325 PolarHBondContact N-OE2 3.5Å; R322-E325 WeakPolarHBondContact O-CB 3.22Å; R322-E325 PolarHBondContact O-N 2.77Å; E325-V752 WeakPolarHBondContact CA-O 3.35Å; E325-T754 WeakPolarHBondContact OE1-CG2 3.36Å | ||
| 326 | G | 85.1 | Confident | 78.9 | Confident | 37 Ų | 37 | 54.9 Ų | 54.9 | 38% | 0.381 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 121 | -160.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | V752 | G326-V752 PolarHBondContact N-O 3.47Å; G326-V752 PolarHBondContact O-N 2.96Å |
| 327 | K | 88.6 | Confident | 79.8 | Confident | 101 Ų | 101 | 52.1 Ų | 52.1 | 44% | 0.439 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 101.8 | -174.1 | -58.2 | -157.5 | -171.4 | -148.7 | 0 | 111.5 | V749 F750 E751 L844 | K327-V749 HydrophobicContact CB-CG1 3.96Å; K327-F750 CarbonylContact C-O 3.49Å; K327-F750 WeakPolarHBondContact CA-O 3.38Å; K327-E751 WeakPolarHBondContact CE-OE1 3.36Å; K327-E751 HydrophobicContact CG-CG 4.45Å; K327-E751 IonicContact NZ-OE1 2.84Å; K327-E751 PolarHBondContact NZ-OE1 3.2Å; K327-L844 HydrophobicContact CB-CB 4.24Å; K327-L844 HydrophobicContact CB-CD1 4.41Å; K327-L844 PolarHBondContact O-N 2.86Å |
| 328 | L | 90.7 | Very high | 80.8 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 109 | 178.7 | 176 | 56.5 | 0 | 0 | 0 | 110.5 | V330 F750 V752 L784 V787 F841 Y843 | L328-V330 HydrophobicContact CD2-CG2 4.29Å; L328-V330 HydrophobicContact CG-CG2 4Å; L328-F750 PolarHBondContact N-O 3.25Å; L328-F750 PolarHBondContact O-N 3.27Å; L328-V752 HydrophobicContact CB-CG2 3.63Å; L328-V752 HydrophobicContact CD2-CG2 4.23Å; L328-L784 HydrophobicContact CD2-CD2 3.93Å; L328-V787 HydrophobicContact CD1-CG1 4.49Å; L328-F841 HydrophobicContact CD1-CB 4.11Å; L328-F841 HydrophobicContact CD1-CD1 4.31Å; L328-Y843 HydrophobicContact CB-CE1 4.27Å; L328-Y843 HydrophobicContact CD1-CD2 3.92Å; L328-Y843 HydrophobicContact CD1-CE2 3.77Å; L328-Y843 HydrophobicContact CD1-CG 4.48Å |
| 329 | R | 92.5 | Very high | 81.8 | Confident | 68 Ų | 68 | 46 Ų | 46 | 26% | 0.257 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 123.3 | 167.1 | -170 | -176 | -56.2 | -112.8 | 0.5 | 109.4 | V748 V749 F841 C842 L844 | R329-V748 CarbonylContact C-O 3.56Å; R329-V748 VanDerWaalsContact CA-O 3.32Å; R329-V748 WeakPolarHBondContact CA-O 3.45Å; R329-V749 HydrophobicContact CB-CG2 4.12Å; R329-V749 HydrophobicContact CG-CG2 4.03Å; R329-F841 CarbonylContact O-C 3.6Å; R329-F841 WeakPolarHBondContact O-CA 3.45Å; R329-C842 HydrophobicContact CB-CB 4.25Å; R329-C842 WeakPolarHBondContact CB-O 3.45Å; R329-C842 PolarHBondContact N-O 2.88Å; R329-C842 PolarHBondContact O-N 2.84Å; R329-L844 HydrophobicContact CB-CD1 4.48Å; R329-L844 HydrophobicContact CB-CG 4.47Å |
| 330 | V | 93.1 | Very high | 83.1 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 127.3 | 171.8 | -171.1 | 0 | 0 | 0 | 0 | 108.7 | L328 L354 S747 V748 F750 L759 N840 F841 | L328-V330 HydrophobicContact CD2-CG2 4.29Å; L328-V330 HydrophobicContact CG-CG2 4Å; V330-L354 HydrophobicContact CB-CD1 4.1Å; V330-L354 HydrophobicContact CG1-CD1 3.7Å; V330-S747 CarbonylContact O-C 3.59Å; V330-S747 WeakPolarHBondContact O-CA 3.5Å; V330-V748 HydrophobicContact CB-CG1 4.11Å; V330-V748 PolarHBondContact N-O 2.97Å; V330-V748 PolarHBondContact O-N 3.29Å; V330-F750 HydrophobicContact CB-CE2 4.46Å; V330-F750 HydrophobicContact CG2-CD2 3.87Å; V330-F750 HydrophobicContact CG2-CE2 4.02Å; V330-L759 HydrophobicContact CG1-CD2 4.21Å; V330-L759 HydrophobicContact CG2-CD2 3.95Å; V330-N840 CarbonylContact C-O 3.58Å; V330-N840 WeakPolarHBondContact CA-O 3.41Å; V330-F841 HydrophobicContact CB-CD1 4.45Å; V330-F841 HydrophobicContact CB-CE1 4.48Å; V330-F841 HydrophobicContact CG1-CD1 4.07Å; V330-F841 HydrophobicContact CG1-CE1 3.71Å; V330-F841 HydrophobicContact CG2-CD1 4.02Å; V330-F841 HydrophobicContact CG2-CE1 4.13Å |
| 331 | T | 91.8 | Very high | 83.7 | Confident | 33 Ų | 33 | 30.6 Ų | 30.6 | 20% | 0.202 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 123.9 | 176.4 | -53.2 | 0 | 0 | 0 | 0 | 110.1 | I333 S747 L839 N840 | T331-I333 HydrophobicContact CG2-CG1 4.48Å; T331-S747 WeakPolarHBondContact OG1-CB 3.29Å; T331-L839 WeakPolarHBondContact O-CA 3.42Å; T331-N840 PolarHBondContact N-O 2.85Å; T331-N840 PolarHBondContact O-N 2.6Å |
| 332 | L | 92.3 | Very high | 83.9 | Confident | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 122.8 | 173.7 | 174.3 | 60.5 | 0 | 0 | 0 | 109.3 | C352 W729 W743 A746 I837 L839 | L332-C352 HydrophobicContact CD2-CB 3.47Å; L332-C352 VanDerWaalsContact CD2-CB 3.47Å; L332-W729 HydrophobicContact CD2-CZ3 4.48Å; L332-W743 HydrophobicContact CD1-CD2 4.45Å; L332-W743 HydrophobicContact CD1-CE3 3.94Å; L332-W743 HydrophobicContact CD1-CZ3 4.01Å; L332-W743 HydrophobicContact CD2-CD2 3.46Å; L332-W743 VanDerWaalsContact CD2-CD2 3.46Å; L332-W743 HydrophobicContact CD2-CE3 3.79Å; L332-W743 HydrophobicContact CD2-CG 3.85Å; L332-W743 HydrophobicContact CD2-CH2 4.19Å; L332-W743 HydrophobicContact CD2-CZ2 3.89Å; L332-W743 HydrophobicContact CD2-CZ3 4.15Å; L332-W743 HydrophobicContact CG-CB 4.35Å; L332-W743 HydrophobicContact CG-CD2 3.69Å; L332-W743 HydrophobicContact CG-CE3 3.63Å; L332-W743 HydrophobicContact CG-CG 4.03Å; L332-W743 HydrophobicContact CG-CZ3 4.15Å; L332-A746 HydrophobicContact CB-CB 4.24Å; L332-A746 PolarHBondContact N-O 3.33Å; L332-I837 HydrophobicContact CD1-CD1 3.67Å; L332-I837 HydrophobicContact CD1-CG1 3.82Å; L332-L839 HydrophobicContact CB-CD2 4.34Å; L332-L839 HydrophobicContact CD1-CD2 3.71Å |
| 333 | I | 89.7 | Confident | 83.9 | Confident | 52 Ų | 52 | 26.8 Ų | 26.8 | 27% | 0.267 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | -61.3 | -174.9 | -60.5 | 176.2 | 0 | 0 | 0 | 110.4 | T331 C742 W743 Q800 T838 N840 | T331-I333 HydrophobicContact CG2-CG1 4.48Å; I333-C742 WeakPolarHBondContact O-CA 3.33Å; I333-W743 PolarHBondContact O-N 3.5Å; I333-Q800 HydrophobicContact CD1-CG 3.98Å; I333-T838 HydrophobicContact CB-CG2 4.34Å; I333-T838 HydrophobicContact CD1-CG2 4.44Å; I333-T838 PolarHBondContact N-O 2.88Å; I333-T838 VanDerWaalsContact N-O 3.17Å; I333-N840 HydrophobicContact CD1-CB 3.88Å |
| 334 | E | 90.4 | Very high | 83.8 | Confident | 46 Ų | 46 | 26.6 Ų | 26.6 | 22% | 0.215 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 163.8 | -173.9 | 58.2 | 168.7 | -158.4 | 0 | 0 | 111.5 | A741 T838 | E334-A741 CarbonylContact C-O 3.6Å; E334-A741 WeakPolarHBondContact CA-O 3.17Å; E334-A741 WeakPolarHBondContact CB-O 3.25Å; E334-T838 HydrophobicContact CG-CG2 4.14Å; E334-T838 WeakPolarHBondContact CG-OG1 3.2Å; E334-T838 PolarHBondContact O-N 2.75Å; E334-T838 PolarHBondContact OE1-OG1 3.5Å |
| 335 | C | 89.3 | Confident | 83.5 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 154.1 | 161 | 69.4 | 0 | 0 | 0 | 0 | 109.9 | T740 A741 W743 L763 D836 I837 | C335-T740 CarbonylContact O-C 3.56Å; C335-T740 VanDerWaalsContact O-CA 3.32Å; C335-T740 WeakPolarHBondContact O-CA 3.4Å; C335-A741 PolarHBondContact N-O 3.3Å; C335-A741 PolarHBondContact O-N 2.87Å; C335-W743 HydrophobicContact CB-CH2 4.34Å; C335-W743 HydrophobicContact CB-CZ3 4.03Å; C335-L763 HydrophobicContact CB-CD1 3.71Å; C335-D836 CarbonylContact C-O 3.5Å; C335-D836 WeakPolarHBondContact CA-O 3.44Å; C335-I837 HydrophobicContact CB-CB 4.45Å; C335-I837 HydrophobicContact CB-CG1 4.23Å |
| 336 | S | 87.6 | Confident | 83.2 | Confident | 8 Ų | 8 | 34.4 Ų | 34.4 | 6% | 0.056 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 159.9 | -177.1 | 73.9 | 0 | 0 | 0 | 0 | 112.7 | L338 H739 G835 D836 | S336-L338 VanDerWaalsContact C-N 3.26Å; S336-L338 PolarHBondContact O-N 2.96Å; S336-H739 WeakPolarHBondContact CA-O 3.14Å; S336-G835 VanDerWaalsContact O-CA 3.26Å; S336-G835 WeakPolarHBondContact O-CA 3.1Å; S336-D836 PolarHBondContact N-O 2.83Å; S336-D836 PolarHBondContact O-N 2.86Å |
| 337 | R | 83.4 | Confident | 83.1 | Confident | 16 Ų | 16 | 39.7 Ų | 39.7 | 6% | 0.06 | 19% | 0.193 | C | C | . | . | trans | 60 | 27.4 | 172 | -48.6 | -169.1 | -72.3 | -178.2 | -7 | 115.1 | R239 M240 S243 Y344 H739 G835 D836 | R239-R337 WeakPolarHBondContact O-CD 3.48Å; R239-R337 PolarHBondContact O-NH1 3Å; M240-R337 HydrophobicContact CE-CB 4.14Å; M240-R337 HydrophobicContact CE-CG 4.33Å; M240-R337 HydrophobicContact SD-CB 3.97Å; M240-R337 HydrophobicContact SD-CG 3.6Å; S243-R337 PolarHBondContact OG-NH1 2.97Å; R337-Y344 WeakPolarHBondContact O-CE1 3.4Å; R337-H739 PolarHBondContact N-O 3.11Å; R337-G835 WeakPolarHBondContact O-CA 3.25Å; R337-D836 IonicContact CZ-OD1 3.69Å; R337-D836 IonicContact CZ-OD2 2.68Å; R337-D836 IonicContact NE-OD2 3.48Å; R337-D836 PolarHBondContact NE-OD2 2.77Å; R337-D836 IonicContact NH2-OD1 3.36Å; R337-D836 PolarHBondContact NH2-OD1 3.19Å; R337-D836 IonicContact NH2-OD2 3.17Å; R337-D836 PolarHBondContact NH2-OD2 3Å | ||
| 338 | L | 84.4 | Confident | 82.9 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -65 | 136.5 | 179.2 | -55.4 | -175.1 | 0 | 0 | 0 | 112 | S336 I340 Y344 V350 F736 L763 L777 L805 | S336-L338 VanDerWaalsContact C-N 3.26Å; S336-L338 PolarHBondContact O-N 2.96Å; L338-I340 HydrophobicContact CB-CD1 4.17Å; L338-I340 HydrophobicContact CB-CG1 4.18Å; L338-I340 PolarHBondContact O-N 3.1Å; L338-Y344 WeakPolarHBondContact O-CD1 3.19Å; L338-V350 HydrophobicContact CD1-CG1 4.17Å; L338-F736 HydrophobicContact CB-CD2 4.44Å; L338-F736 HydrophobicContact CB-CE1 4.42Å; L338-F736 HydrophobicContact CB-CE2 3.86Å; L338-F736 HydrophobicContact CB-CZ 3.83Å; L338-F736 HydrophobicContact CD1-CD2 3.72Å; L338-F736 HydrophobicContact CD1-CE2 3.84Å; L338-F736 HydrophobicContact CD1-CG 4.37Å; L338-F736 HydrophobicContact CG-CD2 4.02Å; L338-F736 HydrophobicContact CG-CE2 3.59Å; L338-F736 HydrophobicContact CG-CZ 4.1Å; L338-L763 HydrophobicContact CD1-CD1 3.9Å; L338-L763 HydrophobicContact CD2-CD1 3.63Å; L338-L763 HydrophobicContact CG-CD1 4.4Å; L338-L777 HydrophobicContact CD1-CD1 3.91Å; L338-L805 HydrophobicContact CD2-CD1 3.76Å | ||
| 339 | F | 81.9 | Confident | 82.7 | Confident | 24 Ų | 24 | 42 Ų | 42 | 11% | 0.105 | 20% | 0.203 | C | C | . | . | trans | -94.1 | 82.8 | 178.7 | -175 | -127 | 0 | 0 | 0 | 112.2 | L341 G342 Y344 A818 L819 C833 | F339-L341 PolarHBondContact O-N 3.29Å; F339-G342 VanDerWaalsContact CE2-C 3.43Å; F339-Y344 HydrophobicContact CB-CD1 4.33Å; F339-Y344 HydrophobicContact CB-CE1 3.6Å; F339-Y344 HydrophobicContact CD2-CD1 4.29Å; F339-Y344 HydrophobicContact CD2-CD2 4.01Å; F339-Y344 AromaticContact CD2-CE1 3.78Å; F339-Y344 HydrophobicContact CD2-CE1 3.78Å; F339-Y344 AromaticContact CD2-CE2 3.41Å; F339-Y344 HydrophobicContact CD2-CE2 3.41Å; F339-Y344 VanDerWaalsContact CD2-CE2 3.41Å; F339-Y344 HydrophobicContact CD2-CG 4.39Å; F339-Y344 AromaticContact CD2-CZ 3.26Å; F339-Y344 WeakPolarHBondContact CD2-OH 3.26Å; F339-Y344 HydrophobicContact CE2-CD2 4.42Å; F339-Y344 AromaticContact CE2-CE2 3.79Å; F339-Y344 HydrophobicContact CE2-CE2 3.79Å; F339-Y344 HydrophobicContact CG-CE1 4.1Å; F339-Y344 HydrophobicContact CG-CE2 4.38Å; F339-Y344 AromaticContact CG-CZ 3.8Å; F339-A818 HydrophobicContact CZ-CB 3.73Å; F339-L819 HydrophobicContact CD1-CD1 4.36Å; F339-L819 HydrophobicContact CD1-CD2 4.47Å; F339-L819 HydrophobicContact CD1-CG 4.5Å; F339-L819 HydrophobicContact CE1-CD1 3.74Å; F339-L819 HydrophobicContact CE1-CD2 3.74Å; F339-L819 HydrophobicContact CE1-CG 3.54Å; F339-L819 HydrophobicContact CE2-CD2 3.8Å; F339-L819 HydrophobicContact CE2-CG 4.43Å; F339-L819 HydrophobicContact CZ-CD1 4.19Å; F339-L819 HydrophobicContact CZ-CD2 3.32Å; F339-L819 HydrophobicContact CZ-CG 3.47Å; F339-L819 VanDerWaalsContact CZ-CG 3.47Å; F339-C833 WeakPolarHBondContact CB-O 3.45Å | ||
| 340 | I | 78.8 | Confident | 82.5 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | -85.3 | 110.1 | -172.9 | -65.7 | 151.8 | 0 | 0 | 0 | 110.2 | L338 G342 S343 R346 T348 F736 L777 | L338-I340 HydrophobicContact CB-CD1 4.17Å; L338-I340 HydrophobicContact CB-CG1 4.18Å; L338-I340 PolarHBondContact O-N 3.1Å; I340-G342 PolarHBondContact O-N 3.36Å; I340-S343 PolarHBondContact N-O 2.96Å; I340-S343 VanDerWaalsContact N-O 3.12Å; I340-S343 PolarHBondContact O-N 3.27Å; I340-R346 HydrophobicContact CB-CB 4.31Å; I340-R346 HydrophobicContact CG2-CB 4.05Å; I340-R346 WeakPolarHBondContact O-CD 3.46Å; I340-T348 HydrophobicContact CD1-CG2 3.66Å; I340-T348 HydrophobicContact CG1-CG2 4.16Å; I340-T348 HydrophobicContact CG2-CG2 4.12Å; I340-F736 HydrophobicContact CD1-CB 4.45Å; I340-F736 HydrophobicContact CD1-CD1 3.31Å; I340-F736 HydrophobicContact CD1-CE1 3.6Å; I340-F736 HydrophobicContact CD1-CG 3.95Å; I340-F736 HydrophobicContact CD1-CZ 4.43Å; I340-L777 HydrophobicContact CG1-CD1 3.97Å; I340-L777 HydrophobicContact CG1-CD2 4.08Å |
| 341 | L | 69.9 | Low | 82.4 | Confident | 27 Ų | 27 | 38.9 Ų | 38.9 | 14% | 0.141 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 29.1 | 167.6 | -60.7 | 154.6 | 0 | 0 | 0 | 114.2 | F339 R346 P768 F769 L775 | F339-L341 PolarHBondContact O-N 3.29Å; L341-R346 VanDerWaalsContact CB-NH1 3.28Å; L341-R346 PolarHBondContact O-NH2 3.17Å; L341-R346 VanDerWaalsContact O-NH2 3.12Å; L341-P768 HydrophobicContact CD1-CG 3.64Å; L341-P768 HydrophobicContact CD2-CG 3.82Å; L341-P768 HydrophobicContact CG-CG 4.39Å; L341-F769 HydrophobicContact CD2-CE2 4Å; L341-L775 HydrophobicContact CD2-CD2 3.68Å; L341-L775 HydrophobicContact CG-CD2 4.25Å |
| 342 | G | 66.8 | Low | 82.3 | Confident | 26 Ų | 26 | 37.3 Ų | 37.3 | 27% | 0.268 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 98.2 | 8.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | F339 I340 | F339-G342 VanDerWaalsContact CE2-C 3.43Å; I340-G342 PolarHBondContact O-N 3.36Å |
| 343 | S | 69.3 | Low | 82.2 | Confident | 24 Ų | 24 | 37.3 Ų | 37.3 | 17% | 0.168 | 18% | 0.182 | C | C | . | . | B | Isolated β-bridge | trans | -147.5 | 152.5 | 172.7 | 148 | 0 | 0 | 0 | 0 | 110.4 | I340 D345 | I340-S343 PolarHBondContact N-O 2.96Å; I340-S343 VanDerWaalsContact N-O 3.12Å; I340-S343 PolarHBondContact O-N 3.27Å; S343-D345 PolarHBondContact OG-N 3.12Å; S343-D345 PolarHBondContact OG-OD2 3.21Å |
| 344 | Y | 72.1 | Confident | 82.2 | Confident | 25 Ų | 25 | 34.8 Ų | 34.8 | 10% | 0.098 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -91.3 | -14.8 | 175.3 | -63.5 | -84.2 | 0 | 0 | 0 | 112 | M240 P241 R337 L338 F339 R346 H739 C833 | M240-Y344 VanDerWaalsContact CE-CB 3.49Å; M240-Y344 HydrophobicContact CE-CD1 3.38Å; M240-Y344 HydrophobicContact CE-CD2 4.28Å; M240-Y344 HydrophobicContact CE-CE1 4.19Å; M240-Y344 HydrophobicContact CE-CG 3.44Å; M240-Y344 VanDerWaalsContact CE-CG 3.44Å; P241-Y344 HydrophobicContact CB-CE1 4.29Å; P241-Y344 HydrophobicContact CB-CE2 3.83Å; P241-Y344 VanDerWaalsContact CB-CZ 3.47Å; P241-Y344 WeakPolarHBondContact CB-OH 3.37Å; R337-Y344 WeakPolarHBondContact O-CE1 3.4Å; L338-Y344 WeakPolarHBondContact O-CD1 3.19Å; F339-Y344 HydrophobicContact CB-CD1 4.33Å; F339-Y344 HydrophobicContact CB-CE1 3.6Å; F339-Y344 HydrophobicContact CD2-CD1 4.29Å; F339-Y344 HydrophobicContact CD2-CD2 4.01Å; F339-Y344 AromaticContact CD2-CE1 3.78Å; F339-Y344 HydrophobicContact CD2-CE1 3.78Å; F339-Y344 AromaticContact CD2-CE2 3.41Å; F339-Y344 HydrophobicContact CD2-CE2 3.41Å; F339-Y344 VanDerWaalsContact CD2-CE2 3.41Å; F339-Y344 HydrophobicContact CD2-CG 4.39Å; F339-Y344 AromaticContact CD2-CZ 3.26Å; F339-Y344 WeakPolarHBondContact CD2-OH 3.26Å; F339-Y344 HydrophobicContact CE2-CD2 4.42Å; F339-Y344 AromaticContact CE2-CE2 3.79Å; F339-Y344 HydrophobicContact CE2-CE2 3.79Å; F339-Y344 HydrophobicContact CG-CE1 4.1Å; F339-Y344 HydrophobicContact CG-CE2 4.38Å; F339-Y344 AromaticContact CG-CZ 3.8Å; Y344-R346 VanDerWaalsContact C-N 3.32Å; Y344-H739 PolarHBondContact O-CE1 3.16Å; Y344-H739 PolarHBondContact O-ND1 3.08Å; Y344-C833 WeakPolarHBondContact OH-CB 3.2Å; Y344-C833 PolarHBondContact OH-O 3.38Å |
| 345 | D | 73.4 | Confident | 82.2 | Confident | 121 Ų | 121 | 33.7 Ų | 33.7 | 65% | 0.647 | 16% | 0.164 | S | C | * | . | S | Bend | trans | -89.8 | 3.7 | -174.1 | -21.4 | -84.5 | 0 | 0 | 0 | 112.3 | S343 H739 | S343-D345 PolarHBondContact OG-N 3.12Å; S343-D345 PolarHBondContact OG-OD2 3.21Å; D345-H739 IonicContact OD1-CE1 2.69Å |
| 346 | R | 75.6 | Confident | 82.2 | Confident | 111 Ų | 111 | 34 Ų | 34 | 42% | 0.419 | 17% | 0.165 | S | C | . | . | trans | -86.6 | 123.7 | -177.4 | -71.7 | -168 | -171.9 | -168.8 | 12.9 | 111.8 | I340 L341 Y344 | I340-R346 HydrophobicContact CB-CB 4.31Å; I340-R346 HydrophobicContact CG2-CB 4.05Å; I340-R346 WeakPolarHBondContact O-CD 3.46Å; L341-R346 VanDerWaalsContact CB-NH1 3.28Å; L341-R346 PolarHBondContact O-NH2 3.17Å; L341-R346 VanDerWaalsContact O-NH2 3.12Å; Y344-R346 VanDerWaalsContact C-N 3.32Å | ||
| 347 | E | 83.1 | Confident | 82.1 | Confident | 148 Ų | 148 | 34.5 Ų | 34.5 | 69% | 0.692 | 17% | 0.169 | S | C | * | . | trans | -74.7 | 135.8 | 167.4 | -58.1 | 178.7 | 155.8 | 0 | 0 | 110.4 | F736 | E347-F736 WeakPolarHBondContact CA-O 3.48Š| ||
| 348 | T | 84.5 | Confident | 82.1 | Confident | 30 Ų | 30 | 36.9 Ų | 36.9 | 18% | 0.184 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 161.9 | 175 | -161.7 | 0 | 0 | 0 | 0 | 111.2 | I340 V350 F736 C765 | I340-T348 HydrophobicContact CD1-CG2 3.66Å; I340-T348 HydrophobicContact CG1-CG2 4.16Å; I340-T348 HydrophobicContact CG2-CG2 4.12Å; T348-V350 HydrophobicContact CG2-CG1 3.66Å; T348-F736 PolarHBondContact N-O 3.48Å; T348-F736 PolarHBondContact O-N 3.09Å; T348-C765 HydrophobicContact CG2-CB 4.02Å |
| 349 | Y | 86 | Confident | 82 | Confident | 119 Ų | 119 | 42 Ų | 42 | 47% | 0.467 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 127 | 168.4 | -71.7 | -94.3 | 0 | 0 | 0 | 109.6 | E733 T734 I735 C765 | Y349-E733 HydrophobicContact CD1-CB 4.35Å; Y349-T734 CarbonylContact C-O 3.59Å; Y349-T734 WeakPolarHBondContact CA-O 3.22Å; Y349-I735 HydrophobicContact CD1-CG1 3.95Å; Y349-I735 HydrophobicContact CE1-CD1 4.01Å; Y349-I735 HydrophobicContact CE1-CG1 3.48Å; Y349-I735 VanDerWaalsContact CE1-CG1 3.48Å; Y349-I735 HydrophobicContact CE2-CG1 4.45Å; Y349-C765 VanDerWaalsContact O-CB 3.29Å; Y349-C765 WeakPolarHBondContact O-CB 3.43Å |
| 350 | V | 89.6 | Confident | 82.1 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 147.9 | 177.3 | -61.1 | 0 | 0 | 0 | 0 | 110.9 | L338 T348 E733 T734 F736 A741 W743 W764 C765 L777 | L338-V350 HydrophobicContact CD1-CG1 4.17Å; T348-V350 HydrophobicContact CG2-CG1 3.66Å; V350-E733 WeakPolarHBondContact O-CA 3.48Å; V350-T734 HydrophobicContact CG2-CG2 3.73Å; V350-T734 PolarHBondContact N-O 3.44Å; V350-T734 PolarHBondContact O-N 2.96Å; V350-F736 HydrophobicContact CG1-CB 3.94Å; V350-F736 HydrophobicContact CG2-CB 4.08Å; V350-A741 HydrophobicContact CG2-CB 3.95Å; V350-W743 HydrophobicContact CG2-CH2 4.11Å; V350-W743 HydrophobicContact CG2-CZ2 4.17Å; V350-W764 VanDerWaalsContact CA-O 3.27Å; V350-W764 WeakPolarHBondContact CA-O 3.37Å; V350-C765 HydrophobicContact CG1-CB 4.37Å; V350-L777 HydrophobicContact CG1-CD1 3.84Å |
| 351 | H | 89.6 | Confident | 82.1 | Confident | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.019 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 161.9 | 166.1 | 62.4 | -106.3 | 0 | 0 | 0 | 110.4 | E730 E733 L763 W764 | H351-E730 IonicContact CD2-OE1 3.93Å; H351-E730 IonicContact NE2-OE1 2.76Å; H351-E733 HydrophobicContact CB-CG 4.37Å; H351-L763 WeakPolarHBondContact O-CA 3.42Å; H351-W764 AromaticContact CD2-CD1 3.79Å; H351-W764 PolarHBondContact N-O 3.29Å; H351-W764 WeakPolarHBondContact NE2-CB 3.44Å; H351-W764 AromaticContact NE2-CD1 3.74Å; H351-W764 AromaticContact NE2-CG 3.71Å; H351-W764 PolarHBondContact O-N 2.96Å |
| 352 | C | 91.1 | Very high | 82.2 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 143.6 | 178.1 | -172 | 0 | 0 | 0 | 0 | 110.5 | L332 E730 S731 W743 A762 L763 | L332-C352 HydrophobicContact CD2-CB 3.47Å; L332-C352 VanDerWaalsContact CD2-CB 3.47Å; C352-E730 WeakPolarHBondContact O-CA 3.14Å; C352-S731 PolarHBondContact N-OG 2.87Å; C352-S731 PolarHBondContact O-N 2.9Å; C352-S731 PolarHBondContact O-OG 2.98Å; C352-W743 HydrophobicContact CB-CZ2 4.42Å; C352-A762 CarbonylContact C-O 3.59Å; C352-A762 VanDerWaalsContact CA-O 3.28Å; C352-A762 WeakPolarHBondContact CA-O 3.45Å; C352-A762 PolarHBondContact SG-O 2.9Å; C352-L763 HydrophobicContact CB-CD2 3.5Å |
| 353 | T | 89.3 | Confident | 82.1 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 132.3 | 168.4 | 56.5 | 0 | 0 | 0 | 0 | 110 | W729 E730 V761 A762 W764 | T353-W729 CarbonylContact C-O 3.51Å; T353-W729 VanDerWaalsContact CA-O 3.3Å; T353-W729 WeakPolarHBondContact CA-O 3.42Å; T353-E730 HydrophobicContact CG2-CB 4.32Å; T353-E730 HydrophobicContact CG2-CG 4.03Å; T353-V761 WeakPolarHBondContact O-CA 3.47Å; T353-A762 PolarHBondContact N-O 3.13Å; T353-A762 PolarHBondContact O-N 3.08Å; T353-W764 PolarHBondContact OG1-NE1 3.25Å |
| 354 | L | 91.2 | Very high | 81.8 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 121.1 | 175.4 | -61.1 | 179.1 | 0 | 0 | 0 | 108.4 | V330 L728 W729 V748 F750 L759 N760 V761 | V330-L354 HydrophobicContact CB-CD1 4.1Å; V330-L354 HydrophobicContact CG1-CD1 3.7Å; L354-L728 WeakPolarHBondContact O-CA 3.3Å; L354-W729 HydrophobicContact CB-CE3 4.06Å; L354-W729 HydrophobicContact CD1-CD2 4.47Å; L354-W729 HydrophobicContact CD1-CE3 3.55Å; L354-W729 HydrophobicContact CD1-CZ3 3.67Å; L354-W729 HydrophobicContact CG-CE3 3.71Å; L354-W729 HydrophobicContact CG-CZ3 3.97Å; L354-W729 PolarHBondContact N-O 3.28Å; L354-W729 PolarHBondContact O-N 2.78Å; L354-V748 HydrophobicContact CD1-CG1 3.86Å; L354-F750 HydrophobicContact CB-CE2 4.06Å; L354-F750 HydrophobicContact CB-CZ 3.8Å; L354-F750 HydrophobicContact CD1-CE2 4.37Å; L354-L759 HydrophobicContact CB-CD1 4.3Å; L354-N760 CarbonylContact C-O 3.59Å; L354-N760 WeakPolarHBondContact CA-O 3.32Å; L354-V761 HydrophobicContact CD2-CB 4.18Å; L354-V761 HydrophobicContact CD2-CG1 3.85Å; L354-V761 HydrophobicContact CD2-CG2 3.71Å |
| 355 | E | 89.5 | Confident | 80.9 | Confident | 23 Ų | 23 | 61.2 Ų | 61.2 | 11% | 0.107 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 110.6 | -174.9 | -174 | 172.4 | 143.9 | 0 | 0 | 109.4 | W361 K364 R366 S727 L728 N760 | E355-W361 HydrophobicContact CB-CZ3 4.44Å; E355-W361 WeakPolarHBondContact OE2-CZ3 3.39Å; E355-K364 IonicContact OE1-NZ 2.73Å; E355-K364 PolarHBondContact OE1-NZ 2.89Å; E355-R366 IonicContact OE2-NH2 3.12Å; E355-R366 PolarHBondContact OE2-NH2 2.9Å; E355-S727 CarbonylContact C-O 3.58Å; E355-S727 WeakPolarHBondContact CA-O 3.06Å; E355-L728 HydrophobicContact CB-CD1 3.93Å; E355-L728 HydrophobicContact CG-CD1 4.29Å; E355-N760 HydrophobicContact CB-CB 4.29Å; E355-N760 PolarHBondContact N-O 2.69Å; E355-N760 WeakPolarHBondContact O-CB 3.45Å; E355-N760 PolarHBondContact O-N 2.62Å |
| 356 | L | 89.3 | Confident | 79.9 | Confident | 6 Ų | 6 | 57.7 Ų | 57.7 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 138.8 | 168.5 | -78.7 | -167.7 | 0 | 0 | 0 | 110.1 | S727 F750 V752 L759 L784 | L356-S727 PolarHBondContact N-O 2.71Å; L356-F750 HydrophobicContact CD1-CB 3.54Å; L356-F750 HydrophobicContact CD1-CD1 4.14Å; L356-F750 HydrophobicContact CD1-CG 3.91Å; L356-F750 HydrophobicContact CG-CB 4.15Å; L356-F750 HydrophobicContact CG-CD1 4.07Å; L356-F750 HydrophobicContact CG-CD2 4.36Å; L356-F750 HydrophobicContact CG-CG 3.98Å; L356-V752 HydrophobicContact CD1-CG2 4.13Å; L356-L759 HydrophobicContact CD2-CB 4.14Å; L356-L759 HydrophobicContact CD2-CD1 3.83Å; L356-L759 HydrophobicContact CG-CD1 4.47Å; L356-L784 HydrophobicContact CD2-CD1 4.16Å; L356-L784 HydrophobicContact CD2-CD2 3.99Å |
| 357 | S | 85.8 | Confident | 78.9 | Confident | 19 Ų | 19 | 54 Ų | 54 | 13% | 0.133 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.2 | 166.1 | -177.7 | 58.4 | 0 | 0 | 0 | 0 | 114.5 | Q359 K757 Y758 N760 | S357-Q359 PolarHBondContact OG-O 3.37Å; S357-K757 PolarHBondContact O-N 2.92Å; S357-Y758 PolarHBondContact N-O 3.2Å; S357-Y758 PolarHBondContact O-N 3.37Å; S357-N760 PolarHBondContact OG-ND2 2.94Å |
| 358 | S | 84.1 | Confident | 77.4 | Confident | 66 Ų | 66 | 48.5 Ų | 48.5 | 46% | 0.462 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -82.6 | -10.8 | 171.6 | 58.3 | 0 | 0 | 0 | 0 | 114 | H755 | S358-H755 VanDerWaalsContact CB-O 3.28Å; S358-H755 WeakPolarHBondContact CB-O 3.4Å |
| 359 | Q | 81.3 | Confident | 76.5 | Confident | 107 Ų | 107 | 52.1 Ų | 52.1 | 50% | 0.5 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -127.1 | 152.1 | -174.6 | -62.7 | -174.7 | 33.2 | 0 | 0 | 112.2 | S357 N760 | S357-Q359 PolarHBondContact OG-O 3.37Å; Q359-N760 PolarHBondContact O-ND2 3.46Å |
| 360 | Q | 83.5 | Confident | 75.6 | Confident | 116 Ų | 116 | 50.4 Ų | 50.4 | 54% | 0.542 | 26% | 0.255 | S | S | . | . | trans | -62.4 | 154.5 | 168.3 | -63.7 | 178 | 12.5 | 0 | 0 | 111.2 | Y758 | Q360-Y758 HydrophobicContact CG-CD1 3.92Å; Q360-Y758 HydrophobicContact CG-CD2 4.23Å; Q360-Y758 HydrophobicContact CG-CE1 3.5Å; Q360-Y758 HydrophobicContact CG-CE2 3.88Å; Q360-Y758 HydrophobicContact CG-CG 4.25Å; Q360-Y758 VanDerWaalsContact CG-CZ 3.49Å; Q360-Y758 PolarHBondContact NE2-OH 3.07Å | ||
| 361 | W | 78.9 | Confident | 75 | Confident | 22 Ų | 22 | 57.1 Ų | 57.1 | 8% | 0.083 | 29% | 0.286 | C | S | . | . | trans | -59.3 | 141.6 | -175 | 178.6 | -93.4 | 0 | 0 | 0 | 112.8 | E355 N760 A762 W764 H779 S781 | E355-W361 HydrophobicContact CB-CZ3 4.44Å; E355-W361 WeakPolarHBondContact OE2-CZ3 3.39Å; W361-N760 HydrophobicContact CB-CB 4.18Å; W361-N760 HydrophobicContact CD2-CB 4.5Å; W361-N760 HydrophobicContact CE3-CB 3.73Å; W361-N760 PolarHBondContact N-OD1 2.95Å; W361-A762 HydrophobicContact CH2-CB 3.68Å; W361-A762 HydrophobicContact CZ2-CB 3.47Å; W361-A762 VanDerWaalsContact CZ2-CB 3.47Å; W361-A762 HydrophobicContact CZ3-CB 4.34Å; W361-W764 AromaticContact CH2-CZ2 3.85Å; W361-W764 HydrophobicContact CH2-CZ2 3.85Å; W361-W764 HydrophobicContact CZ2-CH2 4.27Å; W361-W764 AromaticContact CZ2-CZ2 3.63Å; W361-W764 HydrophobicContact CZ2-CZ2 3.63Å; W361-H779 AromaticContact CD1-CD2 3.85Å; W361-H779 AromaticContact CD1-CE1 3.61Å; W361-H779 AromaticContact CD1-CG 3.37Å; W361-H779 AromaticContact CD1-ND1 3.22Å; W361-H779 AromaticContact CD1-NE2 3.98Å; W361-H779 HydrophobicContact CG-CB 4.31Å; W361-H779 AromaticContact CG-ND1 3.66Å; W361-H779 AromaticContact NE1-CG 3.8Å; W361-S781 WeakPolarHBondContact CB-OG 3.34Å; W361-S781 PolarHBondContact N-OG 3.38Å | ||
| 362 | K | 72.2 | Confident | 74.5 | Confident | 124 Ų | 124 | 58.1 Ų | 58.1 | 54% | 0.539 | 29% | 0.293 | S | S | . | . | trans | -136.2 | 136.6 | 174.1 | -65.6 | 168.6 | -177.4 | 168.5 | 0 | 107.7 | K364 | K362-K364 PolarHBondContact O-N 2.67Š| ||
| 363 | E | 65.4 | Low | 74 | Confident | 19 Ų | 19 | 61.9 Ų | 61.9 | 9% | 0.089 | 31% | 0.311 | C | S | . | . | trans | -80 | 88.1 | -168.9 | -164.9 | 174.9 | 149.3 | 0 | 0 | 112.7 | P808 E809 K811 | E363-P808 VanDerWaalsContact OE2-CB 3.29Å; E363-P808 WeakPolarHBondContact OE2-CB 3.08Å; E363-E809 HydrophobicContact CB-CB 4.04Å; E363-E809 HydrophobicContact CB-CG 3.8Å; E363-E809 PolarHBondContact N-OE1 2.89Å; E363-E809 PolarHBondContact OE2-N 2.84Å; E363-K811 VanDerWaalsContact OE1-CE 3.29Å; E363-K811 WeakPolarHBondContact OE1-CE 3.32Å; E363-K811 IonicContact OE1-NZ 3.16Å; E363-K811 PolarHBondContact OE1-NZ 2.77Å | ||
| 364 | K | 62 | Low | 73.5 | Confident | 127 Ų | 127 | 61.9 Ų | 61.9 | 55% | 0.552 | 31% | 0.31 | S | S | * | . | trans | -66.4 | 134.1 | 167.6 | -59.3 | 167 | -171.3 | 161.2 | 0 | 109.6 | E355 K362 R366 | E355-K364 IonicContact OE1-NZ 2.73Å; E355-K364 PolarHBondContact OE1-NZ 2.89Å; K362-K364 PolarHBondContact O-N 2.67Å; K364-R366 PolarHBondContact O-N 2.99Å | ||
| 365 | T | 53.7 | Low | 73 | Confident | 122 Ų | 122 | 65.7 Ų | 65.7 | 75% | 0.748 | 33% | 0.334 | S | S | * | . | trans | -66.8 | 105.9 | 172.6 | -63.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 366 | R | 53.2 | Low | 72.4 | Confident | 47 Ų | 47 | 66 Ų | 66 | 18% | 0.177 | 34% | 0.335 | C | S | . | . | trans | -96.6 | 124.1 | 175.9 | -65.1 | -170.1 | 179.8 | -150.8 | 1.4 | 111.4 | E355 K364 W764 | E355-R366 IonicContact OE2-NH2 3.12Å; E355-R366 PolarHBondContact OE2-NH2 2.9Å; K364-R366 PolarHBondContact O-N 2.99Å; R366-W764 HydrophobicContact CB-CH2 4.25Å; R366-W764 HydrophobicContact CG-CH2 4.08Å; R366-W764 HydrophobicContact CG-CZ2 4.22Å | ||
| 367 | S | 52.8 | Low | 71.3 | Confident | 35 Ų | 35 | 67 Ų | 67 | 25% | 0.245 | 35% | 0.346 | C | S | . | . | B | Isolated β-bridge | trans | -93.8 | 162.4 | 160.8 | 51.7 | 0 | 0 | 0 | 0 | 109.9 | I369 E451 | S367-I369 PolarHBondContact O-N 2.82Å; S367-E451 WeakPolarHBondContact CB-OE1 3.28Å; S367-E451 PolarHBondContact OG-OE1 3.12Å |
| 368 | S | 52.1 | Low | 70 | Confident | 31 Ų | 31 | 73 Ų | 73 | 22% | 0.217 | 39% | 0.385 | C | S | . | . | trans | -73.6 | 92.6 | 175.9 | 69.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 369 | I | 65.1 | Low | 68.6 | Low | 106 Ų | 106 | 75.3 Ų | 75.3 | 54% | 0.544 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 134.5 | 163.5 | -61 | 178.5 | 0 | 0 | 0 | 107.7 | S367 I422 Y450 | S367-I369 PolarHBondContact O-N 2.82Å; I369-I422 HydrophobicContact CB-CD1 4.45Å; I369-I422 HydrophobicContact CD1-CD1 3.94Å; I369-I422 HydrophobicContact CG1-CD1 3.86Å; I369-I422 HydrophobicContact CG2-CD1 3.91Å; I369-Y450 CarbonylContact C-O 3.55Å; I369-Y450 WeakPolarHBondContact CA-O 3.5Å |
| 370 | K | 68.1 | Low | 67.7 | Low | 83 Ų | 83 | 72.1 Ų | 72.1 | 36% | 0.361 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 141.7 | -179.8 | -69.9 | -172.9 | 174.2 | -166.8 | 0 | 110.4 | L449 Y450 | K370-L449 WeakPolarHBondContact O-CA 3.33Å; K370-Y450 HydrophobicContact CB-CD1 4.18Å; K370-Y450 HydrophobicContact CB-CD2 4.48Å; K370-Y450 HydrophobicContact CB-CE1 3.66Å; K370-Y450 HydrophobicContact CB-CE2 3.98Å; K370-Y450 HydrophobicContact CD-CE2 4.07Å; K370-Y450 WeakPolarHBondContact CD-OH 3.36Å; K370-Y450 PolarHBondContact N-O 3.15Å; K370-Y450 WeakPolarHBondContact O-CD1 3.28Å; K370-Y450 PolarHBondContact O-N 3.47Å |
| 371 | Q | 76.7 | Confident | 67 | Low | 141 Ų | 141 | 72.3 Ų | 72.3 | 66% | 0.659 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 132.9 | 167.1 | -175 | 173 | -37.8 | 0 | 0 | 108.7 | V447 L449 | Q371-V447 HydrophobicContact CG-CG1 3.51Å; Q371-L449 HydrophobicContact CB-CG 4.49Å; Q371-L449 HydrophobicContact CG-CD1 4.31Å |
| 372 | T | 78.3 | Confident | 66.8 | Low | 26 Ų | 26 | 71.6 Ų | 71.6 | 16% | 0.16 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 154.7 | 169.5 | -167.7 | 0 | 0 | 0 | 0 | 110.2 | V374 A413 L415 V448 Y450 | T372-V374 HydrophobicContact CG2-CG2 4.29Å; T372-A413 HydrophobicContact CG2-CB 4.31Å; T372-A413 PolarHBondContact OG1-O 3.12Å; T372-L415 HydrophobicContact CG2-CD1 4.06Å; T372-L415 HydrophobicContact CG2-CD2 3.67Å; T372-L415 HydrophobicContact CG2-CG 3.8Å; T372-V448 HydrophobicContact CG2-CB 4.26Å; T372-V448 PolarHBondContact N-O 2.9Å; T372-V448 PolarHBondContact O-N 2.76Å; T372-Y450 HydrophobicContact CG2-CD1 4.11Å; T372-Y450 HydrophobicContact CG2-CE1 3.68Å |
| 373 | E | 81.1 | Confident | 67 | Low | 79 Ų | 79 | 66.6 Ų | 66.6 | 37% | 0.369 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 126.5 | 175.6 | -174.5 | 174.5 | -139.6 | 0 | 0 | 110.3 | R445 | E373-R445 VanDerWaalsContact CD-NH2 3.29Å; E373-R445 WeakPolarHBondContact OE1-CB 3.48Å; E373-R445 IonicContact OE1-CZ 2.67Å; E373-R445 VanDerWaalsContact OE1-CZ 3.26Å; E373-R445 IonicContact OE1-NE 3.52Å; E373-R445 PolarHBondContact OE1-NE 3.37Å; E373-R445 IonicContact OE1-NH2 3.29Å; E373-R445 PolarHBondContact OE1-NH2 3.28Å; E373-R445 IonicContact OE2-CZ 2.96Å; E373-R445 IonicContact OE2-NE 3.8Å; E373-R445 PolarHBondContact OE2-NE 3Å; E373-R445 IonicContact OE2-NH2 3.62Å; E373-R445 PolarHBondContact OE2-NH2 3.34Å |
| 374 | V | 80.4 | Confident | 67.8 | Low | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 115.1 | -177.6 | -171.2 | 0 | 0 | 0 | 0 | 109.2 | T372 V382 P409 A413 L415 V446 V448 | T372-V374 HydrophobicContact CG2-CG2 4.29Å; V374-V382 HydrophobicContact CG1-CB 4.46Å; V374-V382 HydrophobicContact CG1-CG1 3.52Å; V374-V382 HydrophobicContact CG1-CG2 4.12Å; V374-P409 HydrophobicContact CG1-CB 3.82Å; V374-A413 HydrophobicContact CB-CB 4.47Å; V374-A413 HydrophobicContact CG2-CB 3.85Å; V374-L415 HydrophobicContact CG2-CD1 3.73Å; V374-V446 PolarHBondContact N-O 3.43Å; V374-V446 PolarHBondContact O-N 3.05Å; V374-V448 HydrophobicContact CG2-CB 4.4Å; V374-V448 HydrophobicContact CG2-CG2 3.76Å |
| 375 | V | 80.3 | Confident | 68.7 | Low | 81 Ų | 81 | 63.7 Ų | 63.7 | 49% | 0.491 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 115.5 | 177 | -170.4 | 0 | 0 | 0 | 0 | 109.5 | P409 D444 R445 | V375-P409 VanDerWaalsContact O-CB 3.28Å; V375-P409 WeakPolarHBondContact O-CB 2.85Å; V375-P409 WeakPolarHBondContact O-CG 3.31Å; V375-D444 CarbonylContact C-O 3.53Å; V375-D444 WeakPolarHBondContact CA-O 3.33Å; V375-R445 HydrophobicContact CG2-CG 4.33Å |
| 376 | K | 75.6 | Confident | 70.2 | Confident | 30 Ų | 30 | 59.7 Ų | 59.7 | 13% | 0.13 | 35% | 0.347 | C | S | . | . | trans | -62.5 | 135.8 | -178.6 | -67.5 | 175.3 | -176.9 | 162.9 | 0 | 111.5 | V382 L439 A442 G443 D444 | K376-V382 HydrophobicContact CG-CG2 3.92Å; K376-L439 WeakPolarHBondContact CE-O 3.23Å; K376-L439 PolarHBondContact NZ-O 3.24Å; K376-A442 PolarHBondContact NZ-O 2.88Å; K376-G443 WeakPolarHBondContact CD-O 3.31Å; K376-G443 WeakPolarHBondContact CE-O 3.5Å; K376-G443 PolarHBondContact NZ-O 2.9Å; K376-D444 PolarHBondContact N-O 2.96Å | ||
| 377 | G | 66.6 | Low | 71.5 | Confident | 26 Ų | 26 | 63.6 Ų | 63.6 | 27% | 0.268 | 36% | 0.362 | S | S | . | . | trans | -72.7 | 166.7 | 166 | 0 | 0 | 0 | 0 | 0 | 111.8 | C379 G380 | G377-C379 PolarHBondContact O-N 2.96Å; G377-G380 PolarHBondContact O-N 2.52Å | ||
| 378 | P | 58 | Low | 72.7 | Confident | 146 Ų | 146 | 65.6 Ų | 65.6 | 95% | 0.948 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -19.3 | -174.5 | -28 | 35.8 | 0 | 0 | 0 | 116 | G380 | P378-G380 VanDerWaalsContact C-N 3.33Š|
| 379 | C | 56.1 | Low | 73.7 | Confident | 113 Ų | 113 | 66.4 Ų | 66.4 | 76% | 0.764 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | 4.5 | 178.7 | -53.4 | 0 | 0 | 0 | 0 | 113.9 | G377 N381 | G377-C379 PolarHBondContact O-N 2.96Å; C379-N381 PolarHBondContact O-N 2.67Å |
| 380 | G | 62.3 | Low | 73.3 | Confident | 41 Ų | 41 | 65.4 Ų | 65.4 | 42% | 0.423 | 37% | 0.369 | S | S | . | . | S | Bend | trans | 68.6 | -18.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116 | G377 P378 | G377-G380 PolarHBondContact O-N 2.52Å; P378-G380 VanDerWaalsContact C-N 3.33Å |
| 381 | N | 68.3 | Low | 72.6 | Confident | 119 Ų | 119 | 64 Ų | 64 | 64% | 0.636 | 37% | 0.373 | S | S | * | . | trans | -82.6 | 127 | 179.5 | -71.1 | -26.6 | 0 | 0 | 0 | 111.5 | C379 | C379-N381 PolarHBondContact O-N 2.67Š| ||
| 382 | V | 74.6 | Confident | 71.2 | Confident | 7 Ų | 7 | 64.6 Ų | 64.6 | 4% | 0.042 | 38% | 0.38 | C | S | . | . | trans | -81.1 | -17.4 | -179.2 | 167 | 0 | 0 | 0 | 0 | 113.6 | V374 K376 M384 S408 P409 A410 L439 | V374-V382 HydrophobicContact CG1-CB 4.46Å; V374-V382 HydrophobicContact CG1-CG1 3.52Å; V374-V382 HydrophobicContact CG1-CG2 4.12Å; K376-V382 HydrophobicContact CG-CG2 3.92Å; V382-M384 HydrophobicContact CB-CG 4.23Å; V382-M384 HydrophobicContact CB-SD 4.45Å; V382-M384 HydrophobicContact CG1-CE 3.67Å; V382-M384 HydrophobicContact CG1-CG 3.81Å; V382-M384 HydrophobicContact CG1-SD 3.75Å; V382-S408 WeakPolarHBondContact O-CB 3.23Å; V382-P409 HydrophobicContact CG1-CB 4.33Å; V382-A410 HydrophobicContact CG1-CB 3.95Å; V382-A410 WeakPolarHBondContact O-CB 3.43Å; V382-A410 PolarHBondContact O-N 2.83Å; V382-L439 HydrophobicContact CG2-CD2 4.26Å | ||
| 383 | G | 76.3 | Confident | 69.5 | Low | 19 Ų | 19 | 72.8 Ų | 72.8 | 20% | 0.196 | 42% | 0.416 | C | S | . | . | trans | 85.2 | 34.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | V404 T405 | G383-V404 CarbonylContact O-C 3.55Å; G383-V404 WeakPolarHBondContact O-CA 3.12Å; G383-T405 VanDerWaalsContact CA-OG1 3.27Å; G383-T405 WeakPolarHBondContact CA-OG1 3.32Å; G383-T405 PolarHBondContact O-N 3.38Å; G383-T405 PolarHBondContact O-OG1 2.79Å | ||
| 384 | M | 83.4 | Confident | 67.8 | Low | 21 Ų | 21 | 73.1 Ų | 73.1 | 10% | 0.103 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 144.8 | -179.2 | 44.6 | 171.8 | 52.7 | 0 | 0 | 110.2 | V382 F386 I401 T403 A410 L415 L439 | V382-M384 HydrophobicContact CB-CG 4.23Å; V382-M384 HydrophobicContact CB-SD 4.45Å; V382-M384 HydrophobicContact CG1-CE 3.67Å; V382-M384 HydrophobicContact CG1-CG 3.81Å; V382-M384 HydrophobicContact CG1-SD 3.75Å; M384-F386 HydrophobicContact CB-CE1 3.95Å; M384-F386 HydrophobicContact CB-CZ 4.05Å; M384-F386 HydrophobicContact CG-CE1 3.75Å; M384-F386 HydrophobicContact CG-CZ 3.46Å; M384-F386 VanDerWaalsContact CG-CZ 3.46Å; M384-F386 HydrophobicContact SD-CE1 3.46Å; M384-F386 WeakPolarHBondContact SD-CE1 3.26Å; M384-F386 HydrophobicContact SD-CZ 3.41Å; M384-F386 WeakPolarHBondContact SD-CZ 3.44Å; M384-I401 HydrophobicContact CB-CG2 4.35Å; M384-I401 HydrophobicContact CE-CD1 4.28Å; M384-T403 WeakPolarHBondContact CA-O 3.21Å; M384-A410 HydrophobicContact CB-CB 4.22Å; M384-A410 HydrophobicContact CE-CB 3.81Å; M384-L415 HydrophobicContact CE-CD1 3.33Å; M384-L439 HydrophobicContact CG-CD1 4.44Å; M384-L439 HydrophobicContact SD-CD1 3.68Å; M384-L439 HydrophobicContact SD-CD2 4.44Å |
| 385 | T | 80.9 | Confident | 66.2 | Low | 64 Ų | 64 | 76.7 Ų | 76.7 | 39% | 0.393 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 160.2 | 169.8 | 69.1 | 0 | 0 | 0 | 0 | 110.2 | I401 E402 T403 | T385-I401 CarbonylContact O-C 3.55Å; T385-I401 WeakPolarHBondContact O-CA 3.48Å; T385-E402 PolarHBondContact O-N 2.96Å; T385-T403 WeakPolarHBondContact CG2-OG1 3.36Å; T385-T403 PolarHBondContact N-O 3.4Å; T385-T403 PolarHBondContact OG1-N 3.28Å; T385-T403 PolarHBondContact OG1-OG1 3.12Å |
| 386 | F | 84.8 | Confident | 65 | Low | 39 Ų | 39 | 76.2 Ų | 76.2 | 17% | 0.171 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 131.9 | -167.6 | -43.8 | -69.9 | 0 | 0 | 0 | 112.8 | M384 V399 S400 L421 V435 P436 L439 | M384-F386 HydrophobicContact CB-CE1 3.95Å; M384-F386 HydrophobicContact CB-CZ 4.05Å; M384-F386 HydrophobicContact CG-CE1 3.75Å; M384-F386 HydrophobicContact CG-CZ 3.46Å; M384-F386 VanDerWaalsContact CG-CZ 3.46Å; M384-F386 HydrophobicContact SD-CE1 3.46Å; M384-F386 WeakPolarHBondContact SD-CE1 3.26Å; M384-F386 HydrophobicContact SD-CZ 3.41Å; M384-F386 WeakPolarHBondContact SD-CZ 3.44Å; F386-V399 HydrophobicContact CB-CG1 3.64Å; F386-V399 HydrophobicContact CD1-CG1 4.31Å; F386-V399 HydrophobicContact CG-CG1 4.18Å; F386-S400 CarbonylContact C-O 3.56Å; F386-S400 WeakPolarHBondContact CA-O 3.31Å; F386-L421 HydrophobicContact CD1-CD1 3.64Å; F386-L421 HydrophobicContact CE1-CD1 3.68Å; F386-V435 HydrophobicContact CD1-CG1 4.05Å; F386-V435 HydrophobicContact CD2-CB 4.25Å; F386-V435 HydrophobicContact CD2-CG1 3.95Å; F386-V435 HydrophobicContact CE1-CG1 3.57Å; F386-V435 HydrophobicContact CE2-CB 4.18Å; F386-V435 HydrophobicContact CE2-CG1 3.47Å; F386-V435 VanDerWaalsContact CE2-CG1 3.47Å; F386-V435 HydrophobicContact CG-CG1 4.22Å; F386-V435 HydrophobicContact CZ-CB 4.37Å; F386-V435 HydrophobicContact CZ-CG1 3.25Å; F386-P436 HydrophobicContact CD2-CG 4.32Å; F386-P436 HydrophobicContact CE2-CG 4.08Å; F386-L439 HydrophobicContact CE2-CD1 4.31Å; F386-L439 HydrophobicContact CZ-CD1 3.73Å |
| 387 | R | 80.1 | Confident | 64.4 | Low | 128 Ų | 128 | 77.9 Ų | 77.9 | 48% | 0.483 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 125.4 | 167.1 | -171.2 | 173 | -70.8 | -159.1 | -4.6 | 109.5 | I389 S400 E402 | R387-I389 HydrophobicContact CG-CG1 4.27Å; R387-S400 PolarHBondContact N-O 3.47Å; R387-S400 PolarHBondContact O-N 3.34Å; R387-S400 PolarHBondContact O-OG 2.93Å; R387-E402 HydrophobicContact CB-CB 4.15Å; R387-E402 WeakPolarHBondContact CB-OE2 3.15Å; R387-E402 IonicContact CZ-OE1 3.59Å; R387-E402 IonicContact CZ-OE2 3.48Å; R387-E402 IonicContact NE-OE1 3.7Å; R387-E402 IonicContact NE-OE2 2.8Å; R387-E402 PolarHBondContact NE-OE2 3.07Å; R387-E402 VanDerWaalsContact NH2-CD 3.26Å; R387-E402 IonicContact NH2-OE1 2.7Å; R387-E402 PolarHBondContact NH2-OE1 2.73Å; R387-E402 IonicContact NH2-OE2 3.32Å; R387-E402 PolarHBondContact NH2-OE2 3Å |
| 388 | H | 77.2 | Confident | 64.8 | Low | 78 Ų | 78 | 79.6 Ų | 79.6 | 36% | 0.361 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 123.7 | 165.5 | -166 | -101.4 | 0 | 0 | 0 | 108.2 | V397 | H388-V397 VanDerWaalsContact CE1-CG1 3.46Å; H388-V397 WeakPolarHBondContact CE1-CG1 3.45Å; H388-V397 WeakPolarHBondContact NE2-CG1 3.37Å |
| 389 | I | 72.9 | Confident | 65.9 | Low | 48 Ų | 48 | 72.6 Ų | 72.6 | 25% | 0.246 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 112 | 173.2 | -66.2 | 177.6 | 0 | 0 | 0 | 106.5 | R387 Y398 S400 | R387-I389 HydrophobicContact CG-CG1 4.27Å; I389-Y398 HydrophobicContact CB-CD2 4.36Å; I389-Y398 HydrophobicContact CB-CE1 4.31Å; I389-Y398 HydrophobicContact CB-CE2 4.07Å; I389-Y398 HydrophobicContact CD1-CE2 3.65Å; I389-Y398 HydrophobicContact CG1-CE2 4.33Å; I389-Y398 HydrophobicContact CG2-CE1 3.95Å; I389-Y398 HydrophobicContact CG2-CE2 4.38Å; I389-Y398 PolarHBondContact N-O 2.91Å; I389-Y398 PolarHBondContact O-N 2.89Å; I389-S400 WeakPolarHBondContact CD1-OG 3.4Å |
| 390 | P | 57.8 | Low | 67.2 | Low | 84 Ų | 84 | 67.8 Ų | 67.8 | 55% | 0.545 | 40% | 0.399 | S | S | . | . | trans | -64.2 | 150.6 | 175.1 | 29.7 | -34.1 | 0 | 0 | 0 | 109.5 | L392 | P390-L392 PolarHBondContact O-N 3.27Š| ||
| 391 | A | 53.4 | Low | 68.3 | Low | 55 Ų | 55 | 65.9 Ų | 65.9 | 46% | 0.455 | 38% | 0.379 | S | S | . | . | trans | -61.2 | 121.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | D395 V397 | A391-D395 VanDerWaalsContact CB-O 3.23Å; A391-D395 WeakPolarHBondContact CB-O 3.28Å; A391-V397 HydrophobicContact CB-CG2 3.81Å | ||
| 392 | L | 47.6 | Very low | 68.8 | Low | 153 Ų | 153 | 63.1 Ų | 63.1 | 80% | 0.801 | 36% | 0.362 | S | S | * | . | trans | -104.7 | 115.9 | 161.7 | -86.7 | 159.2 | 0 | 0 | 0 | 106.4 | P390 G394 | P390-L392 PolarHBondContact O-N 3.27Å; L392-G394 PolarHBondContact O-N 3.15Å | ||
| 393 | E | 41.4 | Very low | 69 | Low | 197 Ų | 197 | 65.6 Ų | 65.6 | 92% | 0.921 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 34.6 | 79.2 | 165.6 | -155.2 | 152.4 | -150 | 0 | 0 | 116.3 | ||
| 394 | G | 45.1 | Very low | 69.3 | Low | 87 Ų | 87 | 66.4 Ų | 66.4 | 90% | 0.897 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 109.3 | -20.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 117 | L392 | L392-G394 PolarHBondContact O-N 3.15Š|
| 395 | D | 48.5 | Very low | 69.3 | Low | 75 Ų | 75 | 68.8 Ų | 68.8 | 40% | 0.401 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -98.6 | 143.9 | 176.2 | -161.7 | 1.6 | 0 | 0 | 0 | 112.5 | A391 R420 | A391-D395 VanDerWaalsContact CB-O 3.23Å; A391-D395 WeakPolarHBondContact CB-O 3.28Å; D395-R420 IonicContact OD1-CZ 2.6Å; D395-R420 IonicContact OD1-NH1 2.66Å; D395-R420 IonicContact OD1-NH2 2.64Å; D395-R420 PolarHBondContact OD1-NH2 2.96Å; D395-R420 IonicContact OD2-CZ 2.85Å; D395-R420 IonicContact OD2-NH1 2.62Å; D395-R420 PolarHBondContact OD2-NH1 3.23Å; D395-R420 IonicContact OD2-NH2 2.75Å; D395-R420 PolarHBondContact OD2-NH2 2.86Å |
| 396 | A | 54.9 | Low | 68.8 | Low | 70 Ų | 70 | 70.8 Ų | 70.8 | 58% | 0.579 | 41% | 0.408 | S | S | * | . | trans | -72.5 | 135.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y398 R420 | A396-Y398 WeakPolarHBondContact O-CD1 3.27Å; A396-Y398 PolarHBondContact O-N 2.89Å; A396-R420 PolarHBondContact O-NH2 3.4Å; A396-R420 VanDerWaalsContact O-NH2 3.14Å | ||
| 397 | V | 62.9 | Low | 68.3 | Low | 66 Ų | 66 | 75.8 Ų | 75.8 | 40% | 0.4 | 44% | 0.437 | S | S | . | . | trans | -42.9 | 125.2 | 178.8 | 178.5 | 0 | 0 | 0 | 0 | 111.2 | H388 A391 | H388-V397 VanDerWaalsContact CE1-CG1 3.46Å; H388-V397 WeakPolarHBondContact CE1-CG1 3.45Å; H388-V397 WeakPolarHBondContact NE2-CG1 3.37Å; A391-V397 HydrophobicContact CB-CG2 3.81Å | ||
| 398 | Y | 75.3 | Confident | 68.4 | Low | 61 Ų | 61 | 70.1 Ų | 70.1 | 24% | 0.239 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 162.4 | -171.8 | 70.2 | -94.5 | 0 | 0 | 0 | 114.3 | I389 A396 R420 | I389-Y398 HydrophobicContact CB-CD2 4.36Å; I389-Y398 HydrophobicContact CB-CE1 4.31Å; I389-Y398 HydrophobicContact CB-CE2 4.07Å; I389-Y398 HydrophobicContact CD1-CE2 3.65Å; I389-Y398 HydrophobicContact CG1-CE2 4.33Å; I389-Y398 HydrophobicContact CG2-CE1 3.95Å; I389-Y398 HydrophobicContact CG2-CE2 4.38Å; I389-Y398 PolarHBondContact N-O 2.91Å; I389-Y398 PolarHBondContact O-N 2.89Å; A396-Y398 WeakPolarHBondContact O-CD1 3.27Å; A396-Y398 PolarHBondContact O-N 2.89Å; Y398-R420 HydrophobicContact CD2-CB 4.2Å; Y398-R420 HydrophobicContact CD2-CG 3.61Å; Y398-R420 HydrophobicContact CE2-CG 4.29Å; Y398-R420 HydrophobicContact CG-CG 4.02Å; Y398-R420 VanDerWaalsContact CG-NE 3.26Å |
| 399 | V | 80.1 | Confident | 68.6 | Low | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 124.3 | -177.7 | -175.9 | 0 | 0 | 0 | 0 | 108.5 | F386 R420 L421 V429 S431 V435 | F386-V399 HydrophobicContact CB-CG1 3.64Å; F386-V399 HydrophobicContact CD1-CG1 4.31Å; F386-V399 HydrophobicContact CG-CG1 4.18Å; V399-R420 CarbonylContact O-C 3.57Å; V399-R420 WeakPolarHBondContact O-CA 3.44Å; V399-L421 HydrophobicContact CG1-CD1 4.24Å; V399-L421 PolarHBondContact O-N 3.19Å; V399-V429 HydrophobicContact CB-CG1 3.83Å; V399-V429 HydrophobicContact CG2-CG1 3.53Å; V399-S431 VanDerWaalsContact CG2-C 3.42Å; V399-V435 HydrophobicContact CG1-CG2 4.24Å |
| 400 | S | 83.8 | Confident | 68.9 | Low | 11 Ų | 11 | 65 Ų | 65 | 8% | 0.077 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 147.6 | 176.2 | 59.8 | 0 | 0 | 0 | 0 | 111.1 | F386 R387 I389 E402 D419 | F386-S400 CarbonylContact C-O 3.56Å; F386-S400 WeakPolarHBondContact CA-O 3.31Å; R387-S400 PolarHBondContact N-O 3.47Å; R387-S400 PolarHBondContact O-N 3.34Å; R387-S400 PolarHBondContact O-OG 2.93Å; I389-S400 WeakPolarHBondContact CD1-OG 3.4Å; S400-E402 PolarHBondContact O-N 2.84Å; S400-D419 CarbonylContact C-O 3.55Å; S400-D419 VanDerWaalsContact CA-O 3.3Å; S400-D419 WeakPolarHBondContact CA-O 3.14Å |
| 401 | I | 85.1 | Confident | 69.9 | Low | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.005 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 117 | 176.4 | -57.5 | -178.7 | 0 | 0 | 0 | 109.1 | M384 T385 T403 V404 L415 K417 G418 D419 L421 | M384-I401 HydrophobicContact CB-CG2 4.35Å; M384-I401 HydrophobicContact CE-CD1 4.28Å; T385-I401 CarbonylContact O-C 3.55Å; T385-I401 WeakPolarHBondContact O-CA 3.48Å; I401-T403 WeakPolarHBondContact CG2-O 3.31Å; I401-V404 HydrophobicContact CG2-CG2 3.52Å; I401-L415 HydrophobicContact CD1-CB 4.07Å; I401-L415 HydrophobicContact CD1-CD2 4.38Å; I401-K417 CarbonylContact O-C 3.53Å; I401-K417 WeakPolarHBondContact O-CA 3.37Å; I401-G418 PolarHBondContact O-N 3.28Å; I401-D419 HydrophobicContact CD1-CB 4.08Å; I401-D419 HydrophobicContact CG1-CB 4.41Å; I401-D419 PolarHBondContact N-O 3.21Å; I401-L421 HydrophobicContact CD1-CD2 4.17Å; I401-L421 HydrophobicContact CG1-CD1 4.19Å; I401-L421 HydrophobicContact CG1-CD2 4.3Å; I401-L421 HydrophobicContact CG1-CG 4.16Å |
| 402 | E | 79.4 | Confident | 71 | Confident | 61 Ų | 61 | 68 Ų | 68 | 29% | 0.285 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | -40.9 | -177.3 | 177.9 | 153.5 | -176.7 | 0 | 0 | 112.8 | T385 R387 S400 K417 | T385-E402 PolarHBondContact O-N 2.96Å; R387-E402 HydrophobicContact CB-CB 4.15Å; R387-E402 WeakPolarHBondContact CB-OE2 3.15Å; R387-E402 IonicContact CZ-OE1 3.59Å; R387-E402 IonicContact CZ-OE2 3.48Å; R387-E402 IonicContact NE-OE1 3.7Å; R387-E402 IonicContact NE-OE2 2.8Å; R387-E402 PolarHBondContact NE-OE2 3.07Å; R387-E402 VanDerWaalsContact NH2-CD 3.26Å; R387-E402 IonicContact NH2-OE1 2.7Å; R387-E402 PolarHBondContact NH2-OE1 2.73Å; R387-E402 IonicContact NH2-OE2 3.32Å; R387-E402 PolarHBondContact NH2-OE2 3Å; S400-E402 PolarHBondContact O-N 2.84Å; E402-K417 WeakPolarHBondContact O-CD 3.46Å; E402-K417 WeakPolarHBondContact O-CE 3.47Å; E402-K417 VanDerWaalsContact O-CG 3.22Å; E402-K417 WeakPolarHBondContact O-CG 3.34Å; E402-K417 PolarHBondContact O-NZ 2.73Å |
| 403 | T | 77.4 | Confident | 72.4 | Confident | 60 Ų | 60 | 61.3 Ų | 61.3 | 37% | 0.368 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 150.3 | 169.6 | 63.7 | 0 | 0 | 0 | 0 | 110.2 | M384 T385 I401 | M384-T403 WeakPolarHBondContact CA-O 3.21Å; T385-T403 WeakPolarHBondContact CG2-OG1 3.36Å; T385-T403 PolarHBondContact N-O 3.4Å; T385-T403 PolarHBondContact OG1-N 3.28Å; T385-T403 PolarHBondContact OG1-OG1 3.12Å; I401-T403 WeakPolarHBondContact CG2-O 3.31Å |
| 404 | V | 84.3 | Confident | 74.2 | Confident | 36 Ų | 36 | 55.5 Ų | 55.5 | 22% | 0.218 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 128.1 | 166.5 | 176.6 | 0 | 0 | 0 | 0 | 105.9 | G383 I401 A410 | G383-V404 CarbonylContact O-C 3.55Å; G383-V404 WeakPolarHBondContact O-CA 3.12Å; I401-V404 HydrophobicContact CG2-CG2 3.52Å; V404-A410 HydrophobicContact CG1-CB 3.8Å |
| 405 | T | 81.8 | Confident | 75.9 | Confident | 70 Ų | 70 | 51.6 Ų | 51.6 | 43% | 0.429 | 30% | 0.297 | S | S | . | . | trans | -76.7 | 134.7 | 176 | 49.8 | 0 | 0 | 0 | 0 | 109.5 | G383 S408 | G383-T405 VanDerWaalsContact CA-OG1 3.27Å; G383-T405 WeakPolarHBondContact CA-OG1 3.32Å; G383-T405 PolarHBondContact O-N 3.38Å; G383-T405 PolarHBondContact O-OG1 2.79Å; T405-S408 WeakPolarHBondContact O-CB 3.06Å; T405-S408 PolarHBondContact O-N 3.46Å; T405-S408 PolarHBondContact O-OG 2.61Å; T405-S408 WeakPolarHBondContact OG1-CB 2.98Å | ||
| 406 | P | 71.9 | Confident | 77.4 | Confident | 106 Ų | 106 | 50.9 Ų | 50.9 | 69% | 0.688 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 147.8 | -180 | 26.4 | -34.4 | 0 | 0 | 0 | 110.8 | S408 | P406-S408 PolarHBondContact O-N 2.77Å; P406-S408 VanDerWaalsContact O-N 3.14Å |
| 407 | N | 73.3 | Confident | 78.4 | Confident | 144 Ų | 144 | 52.6 Ų | 52.6 | 77% | 0.77 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | 12.5 | -176.8 | -55.5 | -24.9 | 0 | 0 | 0 | 115.6 | ||
| 408 | S | 82.8 | Confident | 78.8 | Confident | 10 Ų | 10 | 50.7 Ų | 50.7 | 7% | 0.07 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -80.3 | 164.4 | 172.6 | 68.1 | 0 | 0 | 0 | 0 | 113.1 | V382 T405 P406 A410 S411 Q412 | V382-S408 WeakPolarHBondContact O-CB 3.23Å; T405-S408 WeakPolarHBondContact O-CB 3.06Å; T405-S408 PolarHBondContact O-N 3.46Å; T405-S408 PolarHBondContact O-OG 2.61Å; T405-S408 WeakPolarHBondContact OG1-CB 2.98Å; P406-S408 PolarHBondContact O-N 2.77Å; P406-S408 VanDerWaalsContact O-N 3.14Å; S408-A410 VanDerWaalsContact C-N 3.25Å; S408-A410 PolarHBondContact O-N 3.35Å; S408-S411 CarbonylContact O-C 3.59Å; S408-S411 WeakPolarHBondContact O-CA 3.41Å; S408-S411 WeakPolarHBondContact O-CB 3.32Å; S408-S411 PolarHBondContact O-N 3.41Å; S408-S411 PolarHBondContact OG-N 3.24Å; S408-Q412 WeakPolarHBondContact O-CG 3.3Å; S408-Q412 PolarHBondContact O-N 3.18Å |
| 409 | P | 80.6 | Confident | 79.1 | Confident | 17 Ų | 17 | 47.9 Ų | 47.9 | 11% | 0.11 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -47.1 | -43.1 | 167.5 | -34.5 | 39.7 | 0 | 0 | 0 | 114.8 | V374 V375 V382 Q412 A413 | V374-P409 HydrophobicContact CG1-CB 3.82Å; V375-P409 VanDerWaalsContact O-CB 3.28Å; V375-P409 WeakPolarHBondContact O-CB 2.85Å; V375-P409 WeakPolarHBondContact O-CG 3.31Å; V382-P409 HydrophobicContact CG1-CB 4.33Å; P409-Q412 PolarHBondContact O-N 2.99Å; P409-A413 WeakPolarHBondContact O-CB 3.35Å; P409-A413 PolarHBondContact O-N 3.05Å; P409-A413 VanDerWaalsContact O-N 3.12Å |
| 410 | A | 80.3 | Confident | 79.2 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | V382 M384 V404 S408 Q412 A413 L415 | V382-A410 HydrophobicContact CG1-CB 3.95Å; V382-A410 WeakPolarHBondContact O-CB 3.43Å; V382-A410 PolarHBondContact O-N 2.83Å; M384-A410 HydrophobicContact CB-CB 4.22Å; M384-A410 HydrophobicContact CE-CB 3.81Å; V404-A410 HydrophobicContact CG1-CB 3.8Å; S408-A410 VanDerWaalsContact C-N 3.25Å; S408-A410 PolarHBondContact O-N 3.35Å; A410-Q412 VanDerWaalsContact C-N 3.27Å; A410-Q412 PolarHBondContact O-N 2.73Å; A410-A413 PolarHBondContact O-N 2.88Å; A410-L415 HydrophobicContact CB-CB 4.31Å; A410-L415 WeakPolarHBondContact O-CB 3.25Å; A410-L415 PolarHBondContact O-N 3.33Å |
| 411 | S | 78.8 | Confident | 79 | Confident | 55 Ų | 55 | 49.3 Ų | 49.3 | 39% | 0.385 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.9 | -26.4 | 177.7 | -172.2 | 0 | 0 | 0 | 0 | 113.3 | S408 | S408-S411 CarbonylContact O-C 3.59Å; S408-S411 WeakPolarHBondContact O-CA 3.41Å; S408-S411 WeakPolarHBondContact O-CB 3.32Å; S408-S411 PolarHBondContact O-N 3.41Å; S408-S411 PolarHBondContact OG-N 3.24Å |
| 412 | Q | 76.6 | Confident | 78.7 | Confident | 149 Ų | 149 | 51.6 Ų | 51.6 | 70% | 0.696 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -81.3 | -23.4 | 177 | -69.8 | 172 | -1 | 0 | 0 | 112.3 | S408 P409 A410 | S408-Q412 WeakPolarHBondContact O-CG 3.3Å; S408-Q412 PolarHBondContact O-N 3.18Å; P409-Q412 PolarHBondContact O-N 2.99Å; A410-Q412 VanDerWaalsContact C-N 3.27Å; A410-Q412 PolarHBondContact O-N 2.73Å |
| 413 | A | 75.7 | Confident | 78.7 | Confident | 12 Ų | 12 | 49.2 Ų | 49.2 | 10% | 0.099 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 17.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | T372 V374 P409 A410 L415 | T372-A413 HydrophobicContact CG2-CB 4.31Å; T372-A413 PolarHBondContact OG1-O 3.12Å; V374-A413 HydrophobicContact CB-CB 4.47Å; V374-A413 HydrophobicContact CG2-CB 3.85Å; P409-A413 WeakPolarHBondContact O-CB 3.35Å; P409-A413 PolarHBondContact O-N 3.05Å; P409-A413 VanDerWaalsContact O-N 3.12Å; A410-A413 PolarHBondContact O-N 2.88Å; A413-L415 PolarHBondContact O-N 2.89Å |
| 414 | D | 79.4 | Confident | 78.9 | Confident | 75 Ų | 75 | 46.5 Ų | 46.5 | 40% | 0.401 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.2 | 37.8 | -168.7 | -171.5 | 47.3 | 0 | 0 | 0 | 114.2 | Q416 R452 | D414-Q416 PolarHBondContact OD1-NE2 3.02Å; D414-R452 PolarHBondContact O-NH2 3.26Å; D414-R452 IonicContact OD1-NH1 2.99Å; D414-R452 IonicContact OD2-CZ 3.35Å; D414-R452 IonicContact OD2-NH1 3.69Å; D414-R452 PolarHBondContact OD2-NH1 3.27Å; D414-R452 IonicContact OD2-NH2 3.68Å |
| 415 | L | 81.8 | Confident | 78.4 | Confident | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | trans | -85.5 | 136.5 | 167.5 | -68.3 | 176.2 | 0 | 0 | 0 | 110 | T372 V374 M384 I401 A410 A413 V448 Y450 | T372-L415 HydrophobicContact CG2-CD1 4.06Å; T372-L415 HydrophobicContact CG2-CD2 3.67Å; T372-L415 HydrophobicContact CG2-CG 3.8Å; V374-L415 HydrophobicContact CG2-CD1 3.73Å; M384-L415 HydrophobicContact CE-CD1 3.33Å; I401-L415 HydrophobicContact CD1-CB 4.07Å; I401-L415 HydrophobicContact CD1-CD2 4.38Å; A410-L415 HydrophobicContact CB-CB 4.31Å; A410-L415 WeakPolarHBondContact O-CB 3.25Å; A410-L415 PolarHBondContact O-N 3.33Å; A413-L415 PolarHBondContact O-N 2.89Å; L415-V448 HydrophobicContact CD1-CG1 4.29Å; L415-Y450 HydrophobicContact CD2-CD1 3.46Å; L415-Y450 VanDerWaalsContact CD2-CD1 3.46Å; L415-Y450 HydrophobicContact CD2-CD2 4.32Å; L415-Y450 HydrophobicContact CD2-CE1 3.5Å; L415-Y450 HydrophobicContact CD2-CE2 4.37Å; L415-Y450 HydrophobicContact CD2-CG 3.88Å | ||
| 416 | Q | 79.6 | Confident | 77.7 | Confident | 61 Ų | 61 | 47 Ų | 47 | 29% | 0.285 | 29% | 0.285 | S | S | . | . | trans | -132.9 | 150.5 | -167.1 | -63.6 | -164.3 | 26 | 0 | 0 | 112.1 | D414 G418 D419 | D414-Q416 PolarHBondContact OD1-NE2 3.02Å; Q416-G418 PolarHBondContact O-N 2.87Å; Q416-D419 WeakPolarHBondContact CA-OD2 3.27Å; Q416-D419 PolarHBondContact N-OD2 2.85Å; Q416-D419 WeakPolarHBondContact O-CB 3.36Å; Q416-D419 VanDerWaalsContact O-CG 3.26Å; Q416-D419 PolarHBondContact O-N 3.18Å; Q416-D419 VanDerWaalsContact O-N 3.12Å | ||
| 417 | K | 76.7 | Confident | 77.9 | Confident | 106 Ų | 106 | 45.2 Ų | 45.2 | 46% | 0.461 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | 129.6 | 171 | 173.3 | 177.8 | -176.3 | 103.7 | 0 | 110.4 | I401 E402 R455 | I401-K417 CarbonylContact O-C 3.53Å; I401-K417 WeakPolarHBondContact O-CA 3.37Å; E402-K417 WeakPolarHBondContact O-CD 3.46Å; E402-K417 WeakPolarHBondContact O-CE 3.47Å; E402-K417 VanDerWaalsContact O-CG 3.22Å; E402-K417 WeakPolarHBondContact O-CG 3.34Å; E402-K417 PolarHBondContact O-NZ 2.73Å; K417-R455 VanDerWaalsContact O-CZ 3.22Å; K417-R455 PolarHBondContact O-NE 3.06Å; K417-R455 PolarHBondContact O-NH2 3.07Å |
| 418 | G | 70.8 | Confident | 78.2 | Confident | 25 Ų | 25 | 45.5 Ų | 45.5 | 26% | 0.258 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.9 | -20.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | I401 Q416 R420 P453 | I401-G418 PolarHBondContact O-N 3.28Å; Q416-G418 PolarHBondContact O-N 2.87Å; G418-R420 PolarHBondContact O-N 3.28Å; G418-P453 VanDerWaalsContact O-CD 3.3Å; G418-P453 WeakPolarHBondContact O-CD 3.38Å; G418-P453 WeakPolarHBondContact O-CG 3.43Å |
| 419 | D | 81.7 | Confident | 78.1 | Confident | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.016 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 131.1 | 178.2 | -67.1 | -21.9 | 0 | 0 | 0 | 110.9 | S400 I401 Q416 Y450 E451 R452 | S400-D419 CarbonylContact C-O 3.55Å; S400-D419 VanDerWaalsContact CA-O 3.3Å; S400-D419 WeakPolarHBondContact CA-O 3.14Å; I401-D419 HydrophobicContact CD1-CB 4.08Å; I401-D419 HydrophobicContact CG1-CB 4.41Å; I401-D419 PolarHBondContact N-O 3.21Å; Q416-D419 WeakPolarHBondContact CA-OD2 3.27Å; Q416-D419 PolarHBondContact N-OD2 2.85Å; Q416-D419 WeakPolarHBondContact O-CB 3.36Å; Q416-D419 VanDerWaalsContact O-CG 3.26Å; Q416-D419 PolarHBondContact O-N 3.18Å; Q416-D419 VanDerWaalsContact O-N 3.12Å; D419-Y450 HydrophobicContact CB-CD2 3.79Å; D419-Y450 HydrophobicContact CB-CE2 4.46Å; D419-Y450 HydrophobicContact CB-CG 4.43Å; D419-E451 CarbonylContact C-O 3.08Å; D419-E451 WeakPolarHBondContact CA-O 3.38Å; D419-R452 WeakPolarHBondContact OD1-CG 3.29Å; D419-R452 IonicContact OD1-CZ 3.08Å; D419-R452 IonicContact OD1-NE 2.95Å; D419-R452 PolarHBondContact OD1-NE 3.08Å; D419-R452 IonicContact OD1-NH2 3.55Å; D419-R452 PolarHBondContact OD1-NH2 3.5Å; D419-R452 IonicContact OD2-CZ 2.69Å; D419-R452 IonicContact OD2-NE 2.63Å; D419-R452 IonicContact OD2-NH2 2.73Å; D419-R452 PolarHBondContact OD2-NH2 2.87Å |
| 420 | R | 81.3 | Confident | 77.8 | Confident | 37 Ų | 37 | 48.7 Ų | 48.7 | 14% | 0.14 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 117.3 | 179.2 | 170 | 167.5 | 176.9 | -165 | 25.6 | 109.2 | D395 A396 Y398 V399 G418 Y450 E451 | D395-R420 IonicContact OD1-CZ 2.6Å; D395-R420 IonicContact OD1-NH1 2.66Å; D395-R420 IonicContact OD1-NH2 2.64Å; D395-R420 PolarHBondContact OD1-NH2 2.96Å; D395-R420 IonicContact OD2-CZ 2.85Å; D395-R420 IonicContact OD2-NH1 2.62Å; D395-R420 PolarHBondContact OD2-NH1 3.23Å; D395-R420 IonicContact OD2-NH2 2.75Å; D395-R420 PolarHBondContact OD2-NH2 2.86Å; A396-R420 PolarHBondContact O-NH2 3.4Å; A396-R420 VanDerWaalsContact O-NH2 3.14Å; Y398-R420 HydrophobicContact CD2-CB 4.2Å; Y398-R420 HydrophobicContact CD2-CG 3.61Å; Y398-R420 HydrophobicContact CE2-CG 4.29Å; Y398-R420 HydrophobicContact CG-CG 4.02Å; Y398-R420 VanDerWaalsContact CG-NE 3.26Å; V399-R420 CarbonylContact O-C 3.57Å; V399-R420 WeakPolarHBondContact O-CA 3.44Å; G418-R420 PolarHBondContact O-N 3.28Å; R420-Y450 CarbonylContact O-C 3.53Å; R420-Y450 WeakPolarHBondContact O-CA 3.34Å; R420-Y450 WeakPolarHBondContact O-CB 3.22Å; R420-E451 HydrophobicContact CB-CB 4.15Å; R420-E451 HydrophobicContact CB-CG 4.38Å; R420-E451 WeakPolarHBondContact CD-OE2 3.43Å; R420-E451 HydrophobicContact CG-CB 4.48Å; R420-E451 IonicContact CZ-OE2 3.02Å; R420-E451 PolarHBondContact N-O 3.34Å; R420-E451 IonicContact NE-OE2 3.2Å; R420-E451 IonicContact NH1-OE2 2.72Å; R420-E451 PolarHBondContact NH1-OE2 2.95Å; R420-E451 PolarHBondContact O-N 2.92Å |
| 421 | L | 80.3 | Confident | 77.8 | Confident | 4 Ų | 4 | 50.3 Ų | 50.3 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 128.5 | -178.2 | -64.5 | 170.7 | 0 | 0 | 0 | 110.6 | F386 V399 I401 I424 V429 V435 V448 | F386-L421 HydrophobicContact CD1-CD1 3.64Å; F386-L421 HydrophobicContact CE1-CD1 3.68Å; V399-L421 HydrophobicContact CG1-CD1 4.24Å; V399-L421 PolarHBondContact O-N 3.19Å; I401-L421 HydrophobicContact CD1-CD2 4.17Å; I401-L421 HydrophobicContact CG1-CD1 4.19Å; I401-L421 HydrophobicContact CG1-CD2 4.3Å; I401-L421 HydrophobicContact CG1-CG 4.16Å; L421-I424 HydrophobicContact CD1-CD1 4.44Å; L421-V429 HydrophobicContact CB-CG1 4.35Å; L421-V429 HydrophobicContact CB-CG2 4.47Å; L421-V435 HydrophobicContact CD1-CG1 4.16Å; L421-V435 HydrophobicContact CD1-CG2 4.24Å; L421-V448 HydrophobicContact CD2-CG1 3.59Å |
| 422 | I | 78.4 | Confident | 77.7 | Confident | 48 Ų | 48 | 49 Ų | 49 | 25% | 0.246 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | -50.8 | -178.8 | -56.1 | 175.2 | 0 | 0 | 0 | 110.3 | I369 K428 V429 L449 E451 | I369-I422 HydrophobicContact CB-CD1 4.45Å; I369-I422 HydrophobicContact CD1-CD1 3.94Å; I369-I422 HydrophobicContact CG1-CD1 3.86Å; I369-I422 HydrophobicContact CG2-CD1 3.91Å; I422-K428 WeakPolarHBondContact O-CA 3.26Å; I422-V429 PolarHBondContact O-N 3.29Å; I422-L449 HydrophobicContact CB-CB 4.33Å; I422-L449 PolarHBondContact N-O 3.21Å; I422-E451 HydrophobicContact CD1-CB 4.05Å |
| 423 | A | 78.9 | Confident | 77.8 | Confident | 12 Ų | 12 | 46.3 Ų | 46.3 | 10% | 0.099 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 151.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | V427 L449 | A423-V427 CarbonylContact C-O 3.51Å; A423-V427 VanDerWaalsContact CA-O 3.27Å; A423-V427 WeakPolarHBondContact CA-O 3.33Å; A423-L449 HydrophobicContact CB-CB 4.29Å; A423-L449 HydrophobicContact CB-CD1 4.47Å; A423-L449 PolarHBondContact N-O 3.37Å; A423-L449 PolarHBondContact O-N 2.89Å |
| 424 | I | 81.3 | Confident | 78 | Confident | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.015 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 120.4 | 178.7 | -62.5 | 177.2 | 0 | 0 | 0 | 108.2 | L421 G426 V427 V429 V435 L438 L439 V446 V448 | L421-I424 HydrophobicContact CD1-CD1 4.44Å; I424-G426 VanDerWaalsContact C-N 3.27Å; I424-G426 PolarHBondContact O-N 2.78Å; I424-V427 PolarHBondContact N-O 3.44Å; I424-V427 PolarHBondContact O-N 3Å; I424-V427 VanDerWaalsContact O-N 3.08Å; I424-V429 HydrophobicContact CB-CG2 4.44Å; I424-V429 HydrophobicContact CD1-CG2 3.92Å; I424-V429 HydrophobicContact CG1-CG2 3.85Å; I424-V435 HydrophobicContact CD1-CB 4.27Å; I424-V435 HydrophobicContact CD1-CG1 3.57Å; I424-V435 HydrophobicContact CD1-CG2 4.06Å; I424-L438 HydrophobicContact CB-CB 4.27Å; I424-L438 HydrophobicContact CB-CD1 4.2Å; I424-L438 HydrophobicContact CG2-CB 4.06Å; I424-L439 HydrophobicContact CD1-CG 4.37Å; I424-L439 HydrophobicContact CG2-CD2 4.1Å; I424-L439 HydrophobicContact CG2-CG 4.44Å; I424-V446 HydrophobicContact CG2-CG1 3.58Å; I424-V448 HydrophobicContact CG1-CG1 4.39Å; I424-V448 HydrophobicContact CG1-CG2 4.39Å |
| 425 | G | 74.3 | Confident | 77.9 | Confident | 46 Ų | 46 | 44.3 Ų | 44.3 | 47% | 0.474 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 36.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | V427 V447 | G425-V427 VanDerWaalsContact C-N 3.25Å; G425-V427 PolarHBondContact O-N 3.26Å; G425-V447 PolarHBondContact N-O 2.87Å |
| 426 | G | 67.1 | Low | 77.6 | Confident | 71 Ų | 71 | 46.7 Ų | 46.7 | 73% | 0.732 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.4 | -12.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | I424 | I424-G426 VanDerWaalsContact C-N 3.27Å; I424-G426 PolarHBondContact O-N 2.78Å |
| 427 | V | 77.4 | Confident | 77.6 | Confident | 68 Ų | 68 | 50.2 Ų | 50.2 | 41% | 0.412 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 124.5 | -178.8 | -174.5 | 0 | 0 | 0 | 0 | 110.9 | A423 I424 G425 L438 | A423-V427 CarbonylContact C-O 3.51Å; A423-V427 VanDerWaalsContact CA-O 3.27Å; A423-V427 WeakPolarHBondContact CA-O 3.33Å; I424-V427 PolarHBondContact N-O 3.44Å; I424-V427 PolarHBondContact O-N 3Å; I424-V427 VanDerWaalsContact O-N 3.08Å; G425-V427 VanDerWaalsContact C-N 3.25Å; G425-V427 PolarHBondContact O-N 3.26Å; V427-L438 HydrophobicContact CB-CD1 4.03Å; V427-L438 HydrophobicContact CB-CD2 3.82Å; V427-L438 HydrophobicContact CG1-CD1 4.07Å; V427-L438 HydrophobicContact CG1-CD2 3.81Å; V427-L438 HydrophobicContact CG2-CD2 4.12Å |
| 428 | K | 79.1 | Confident | 77.8 | Confident | 149 Ų | 149 | 46.1 Ų | 46.1 | 65% | 0.648 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 135.6 | 176.6 | -171.3 | 171.3 | -176.4 | 171.6 | 0 | 111.7 | I422 Q434 | I422-K428 WeakPolarHBondContact O-CA 3.26Å; K428-Q434 PolarHBondContact O-NE2 2.87Å; K428-Q434 PolarHBondContact O-OE1 3.1Å |
| 429 | V | 79.8 | Confident | 78.1 | Confident | 8 Ų | 8 | 45.7 Ų | 45.7 | 5% | 0.048 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -89.3 | 121 | 178.6 | 172.4 | 0 | 0 | 0 | 0 | 109.8 | V399 L421 I422 I424 V435 L438 | V399-V429 HydrophobicContact CB-CG1 3.83Å; V399-V429 HydrophobicContact CG2-CG1 3.53Å; L421-V429 HydrophobicContact CB-CG1 4.35Å; L421-V429 HydrophobicContact CB-CG2 4.47Å; I422-V429 PolarHBondContact O-N 3.29Å; I424-V429 HydrophobicContact CB-CG2 4.44Å; I424-V429 HydrophobicContact CD1-CG2 3.92Å; I424-V429 HydrophobicContact CG1-CG2 3.85Å; V429-V435 HydrophobicContact CB-CG2 4.31Å; V429-V435 HydrophobicContact CG1-CG2 3.4Å; V429-V435 HydrophobicContact CG2-CG2 3.88Å; V429-L438 HydrophobicContact CG2-CD1 4.28Å |
| 430 | T | 74.7 | Confident | 77.8 | Confident | 86 Ų | 86 | 53.6 Ų | 53.6 | 53% | 0.528 | 31% | 0.306 | S | S | . | . | trans | -121.7 | -11.2 | 177 | 61.8 | 0 | 0 | 0 | 0 | 113.4 | Q434 | T430-Q434 PolarHBondContact OG1-OE1 3.13Š| ||
| 431 | S | 80 | Confident | 77.5 | Confident | 35 Ų | 35 | 59.5 Ų | 59.5 | 25% | 0.245 | 34% | 0.335 | C | S | . | . | trans | -152.6 | 146.2 | 178.3 | -178.2 | 0 | 0 | 0 | 0 | 113 | V399 V433 Q434 V435 | V399-S431 VanDerWaalsContact CG2-C 3.42Å; S431-V433 PolarHBondContact O-N 2.84Å; S431-V433 PolarHBondContact OG-N 3.27Å; S431-Q434 VanDerWaalsContact O-CB 3.27Å; S431-Q434 WeakPolarHBondContact O-CB 3.35Å; S431-Q434 PolarHBondContact O-N 3.19Å; S431-V435 PolarHBondContact O-N 3.29Å | ||
| 432 | S | 78 | Confident | 76.9 | Confident | 27 Ų | 27 | 60.7 Ų | 60.7 | 19% | 0.189 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -21.9 | 175.3 | 58.6 | 0 | 0 | 0 | 0 | 112.8 | P436 | S432-P436 WeakPolarHBondContact O-CD 3.32Š|
| 433 | V | 78.3 | Confident | 76.5 | Confident | 92 Ų | 92 | 60.8 Ų | 60.8 | 56% | 0.558 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -21.5 | 176.3 | -174 | 0 | 0 | 0 | 0 | 111.9 | S431 | S431-V433 PolarHBondContact O-N 2.84Å; S431-V433 PolarHBondContact OG-N 3.27Å |
| 434 | Q | 79.8 | Confident | 76.1 | Confident | 46 Ų | 46 | 66.2 Ų | 66.2 | 22% | 0.215 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -39.4 | 175 | -168.7 | -162.6 | 4.8 | 0 | 0 | 110.9 | K428 T430 S431 K437 L438 | K428-Q434 PolarHBondContact O-NE2 2.87Å; K428-Q434 PolarHBondContact O-OE1 3.1Å; T430-Q434 PolarHBondContact OG1-OE1 3.13Å; S431-Q434 VanDerWaalsContact O-CB 3.27Å; S431-Q434 WeakPolarHBondContact O-CB 3.35Å; S431-Q434 PolarHBondContact O-N 3.19Å; Q434-K437 WeakPolarHBondContact O-CA 3.43Å; Q434-K437 VanDerWaalsContact O-CB 3.32Å; Q434-K437 WeakPolarHBondContact O-CB 3.33Å; Q434-K437 PolarHBondContact O-N 2.75Å; Q434-L438 HydrophobicContact CG-CD1 4.04Å; Q434-L438 HydrophobicContact CG-CG 4.13Å; Q434-L438 PolarHBondContact O-N 3.12Å |
| 435 | V | 77.3 | Confident | 75.9 | Confident | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -56.2 | -50 | -173.9 | 171.6 | 0 | 0 | 0 | 0 | 113.5 | F386 V399 L421 I424 V429 S431 K437 L438 L439 | F386-V435 HydrophobicContact CD1-CG1 4.05Å; F386-V435 HydrophobicContact CD2-CB 4.25Å; F386-V435 HydrophobicContact CD2-CG1 3.95Å; F386-V435 HydrophobicContact CE1-CG1 3.57Å; F386-V435 HydrophobicContact CE2-CB 4.18Å; F386-V435 HydrophobicContact CE2-CG1 3.47Å; F386-V435 VanDerWaalsContact CE2-CG1 3.47Å; F386-V435 HydrophobicContact CG-CG1 4.22Å; F386-V435 HydrophobicContact CZ-CB 4.37Å; F386-V435 HydrophobicContact CZ-CG1 3.25Å; V399-V435 HydrophobicContact CG1-CG2 4.24Å; L421-V435 HydrophobicContact CD1-CG1 4.16Å; L421-V435 HydrophobicContact CD1-CG2 4.24Å; I424-V435 HydrophobicContact CD1-CB 4.27Å; I424-V435 HydrophobicContact CD1-CG1 3.57Å; I424-V435 HydrophobicContact CD1-CG2 4.06Å; V429-V435 HydrophobicContact CB-CG2 4.31Å; V429-V435 HydrophobicContact CG1-CG2 3.4Å; V429-V435 HydrophobicContact CG2-CG2 3.88Å; S431-V435 PolarHBondContact O-N 3.29Å; V435-K437 PolarHBondContact O-N 2.95Å; V435-L438 PolarHBondContact O-N 2.86Å; V435-L439 HydrophobicContact CG1-CD1 3.61Å; V435-L439 HydrophobicContact CG1-CG 4.24Å; V435-L439 WeakPolarHBondContact O-CB 3.22Å; V435-L439 WeakPolarHBondContact O-CG 3.37Å; V435-L439 PolarHBondContact O-N 3.17Å |
| 436 | P | 75.8 | Confident | 76.3 | Confident | 54 Ų | 54 | 71.7 Ų | 71.7 | 35% | 0.351 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.4 | -21.9 | 174.2 | -24.7 | 33.8 | 0 | 0 | 0 | 114.7 | F386 S432 K440 | F386-P436 HydrophobicContact CD2-CG 4.32Å; F386-P436 HydrophobicContact CE2-CG 4.08Å; S432-P436 WeakPolarHBondContact O-CD 3.32Å; P436-K440 WeakPolarHBondContact O-CB 3.37Å; P436-K440 VanDerWaalsContact O-CG 3.24Å; P436-K440 WeakPolarHBondContact O-CG 3.07Å; P436-K440 PolarHBondContact O-N 2.82Å |
| 437 | K | 79.6 | Confident | 76.9 | Confident | 135 Ų | 135 | 70.5 Ų | 70.5 | 59% | 0.587 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -79.2 | -48.6 | 175.9 | -58.3 | 178.3 | -176.1 | 179.8 | 0 | 110.3 | Q434 V435 L439 K440 Q441 | Q434-K437 WeakPolarHBondContact O-CA 3.43Å; Q434-K437 VanDerWaalsContact O-CB 3.32Å; Q434-K437 WeakPolarHBondContact O-CB 3.33Å; Q434-K437 PolarHBondContact O-N 2.75Å; V435-K437 PolarHBondContact O-N 2.95Å; K437-L439 VanDerWaalsContact C-N 3.33Å; K437-L439 PolarHBondContact O-N 2.77Å; K437-K440 CarbonylContact O-C 3.59Å; K437-K440 PolarHBondContact O-N 3.41Å; K437-Q441 VanDerWaalsContact O-CB 3.3Å; K437-Q441 WeakPolarHBondContact O-CB 3.37Å; K437-Q441 PolarHBondContact O-N 2.73Å |
| 438 | L | 80.1 | Confident | 77.2 | Confident | 19 Ų | 19 | 67.3 Ų | 67.3 | 10% | 0.099 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.6 | -44.8 | 174.4 | -62.1 | 178.2 | 0 | 0 | 0 | 111.5 | I424 V427 V429 Q434 V435 K440 Q441 A442 | I424-L438 HydrophobicContact CB-CB 4.27Å; I424-L438 HydrophobicContact CB-CD1 4.2Å; I424-L438 HydrophobicContact CG2-CB 4.06Å; V427-L438 HydrophobicContact CB-CD1 4.03Å; V427-L438 HydrophobicContact CB-CD2 3.82Å; V427-L438 HydrophobicContact CG1-CD1 4.07Å; V427-L438 HydrophobicContact CG1-CD2 3.81Å; V427-L438 HydrophobicContact CG2-CD2 4.12Å; V429-L438 HydrophobicContact CG2-CD1 4.28Å; Q434-L438 HydrophobicContact CG-CD1 4.04Å; Q434-L438 HydrophobicContact CG-CG 4.13Å; Q434-L438 PolarHBondContact O-N 3.12Å; V435-L438 PolarHBondContact O-N 2.86Å; L438-K440 VanDerWaalsContact C-N 3.28Å; L438-K440 PolarHBondContact O-N 3.06Å; L438-Q441 PolarHBondContact O-N 2.89Å; L438-A442 WeakPolarHBondContact O-CB 3.42Å; L438-A442 PolarHBondContact O-N 2.85Å |
| 439 | L | 77.8 | Confident | 77.3 | Confident | 16 Ų | 16 | 62.7 Ų | 62.7 | 8% | 0.084 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.2 | -31.6 | 175.3 | -71.6 | 168.6 | 0 | 0 | 0 | 113 | K376 V382 M384 F386 I424 V435 K437 V446 | K376-L439 WeakPolarHBondContact CE-O 3.23Å; K376-L439 PolarHBondContact NZ-O 3.24Å; V382-L439 HydrophobicContact CG2-CD2 4.26Å; M384-L439 HydrophobicContact CG-CD1 4.44Å; M384-L439 HydrophobicContact SD-CD1 3.68Å; M384-L439 HydrophobicContact SD-CD2 4.44Å; F386-L439 HydrophobicContact CE2-CD1 4.31Å; F386-L439 HydrophobicContact CZ-CD1 3.73Å; I424-L439 HydrophobicContact CD1-CG 4.37Å; I424-L439 HydrophobicContact CG2-CD2 4.1Å; I424-L439 HydrophobicContact CG2-CG 4.44Å; V435-L439 HydrophobicContact CG1-CD1 3.61Å; V435-L439 HydrophobicContact CG1-CG 4.24Å; V435-L439 WeakPolarHBondContact O-CB 3.22Å; V435-L439 WeakPolarHBondContact O-CG 3.37Å; V435-L439 PolarHBondContact O-N 3.17Å; K437-L439 VanDerWaalsContact C-N 3.33Å; K437-L439 PolarHBondContact O-N 2.77Å; L439-V446 HydrophobicContact CD2-CG1 4.4Å |
| 440 | K | 75.4 | Confident | 77.3 | Confident | 169 Ų | 169 | 62.6 Ų | 62.6 | 74% | 0.735 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -81.3 | -28.1 | 174.2 | -77.7 | 178.2 | 178.6 | -174.2 | 0 | 113.7 | P436 K437 L438 | P436-K440 WeakPolarHBondContact O-CB 3.37Å; P436-K440 VanDerWaalsContact O-CG 3.24Å; P436-K440 WeakPolarHBondContact O-CG 3.07Å; P436-K440 PolarHBondContact O-N 2.82Å; K437-K440 CarbonylContact O-C 3.59Å; K437-K440 PolarHBondContact O-N 3.41Å; L438-K440 VanDerWaalsContact C-N 3.28Å; L438-K440 PolarHBondContact O-N 3.06Å |
| 441 | Q | 73.9 | Confident | 77.3 | Confident | 162 Ų | 162 | 60.1 Ų | 60.1 | 76% | 0.757 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -85.7 | -31.6 | -176.4 | -176.1 | 175.3 | -9.1 | 0 | 0 | 113.4 | K437 L438 | K437-Q441 VanDerWaalsContact O-CB 3.3Å; K437-Q441 WeakPolarHBondContact O-CB 3.37Å; K437-Q441 PolarHBondContact O-N 2.73Å; L438-Q441 PolarHBondContact O-N 2.89Å |
| 442 | A | 68.8 | Low | 77.1 | Confident | 29 Ų | 29 | 60.4 Ų | 60.4 | 24% | 0.24 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -66.5 | 161.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | K376 L438 V446 | K376-A442 PolarHBondContact NZ-O 2.88Å; L438-A442 WeakPolarHBondContact O-CB 3.42Å; L438-A442 PolarHBondContact O-N 2.85Å; A442-V446 HydrophobicContact CB-CB 4.36Å; A442-V446 HydrophobicContact CB-CG1 3.88Å; A442-V446 HydrophobicContact CB-CG2 3.68Å |
| 443 | G | 68.4 | Low | 76 | Confident | 49 Ų | 49 | 61.5 Ų | 61.5 | 51% | 0.505 | 32% | 0.317 | S | S | . | . | trans | -71 | -165.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | K376 R445 V446 | K376-G443 WeakPolarHBondContact CD-O 3.31Å; K376-G443 WeakPolarHBondContact CE-O 3.5Å; K376-G443 PolarHBondContact NZ-O 2.9Å; G443-R445 PolarHBondContact O-N 2.98Å; G443-V446 WeakPolarHBondContact O-CG2 3.37Å | ||
| 444 | D | 71.7 | Confident | 74.4 | Confident | 126 Ų | 126 | 60.4 Ų | 60.4 | 67% | 0.674 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -65.6 | -27.2 | 178.7 | -63.5 | -37.4 | 0 | 0 | 0 | 112.9 | V375 K376 | V375-D444 CarbonylContact C-O 3.53Å; V375-D444 WeakPolarHBondContact CA-O 3.33Å; K376-D444 PolarHBondContact N-O 2.96Å |
| 445 | R | 76.9 | Confident | 72.5 | Confident | 163 Ų | 163 | 64 Ų | 64 | 62% | 0.615 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 129.9 | 171.7 | -64.6 | 173.8 | 68.8 | 168.6 | 3.8 | 108.9 | E373 V375 G443 | E373-R445 VanDerWaalsContact CD-NH2 3.29Å; E373-R445 WeakPolarHBondContact OE1-CB 3.48Å; E373-R445 IonicContact OE1-CZ 2.67Å; E373-R445 VanDerWaalsContact OE1-CZ 3.26Å; E373-R445 IonicContact OE1-NE 3.52Å; E373-R445 PolarHBondContact OE1-NE 3.37Å; E373-R445 IonicContact OE1-NH2 3.29Å; E373-R445 PolarHBondContact OE1-NH2 3.28Å; E373-R445 IonicContact OE2-CZ 2.96Å; E373-R445 IonicContact OE2-NE 3.8Å; E373-R445 PolarHBondContact OE2-NE 3Å; E373-R445 IonicContact OE2-NH2 3.62Å; E373-R445 PolarHBondContact OE2-NH2 3.34Å; V375-R445 HydrophobicContact CG2-CG 4.33Å; G443-R445 PolarHBondContact O-N 2.98Å |
| 446 | V | 82.3 | Confident | 70.3 | Confident | 2 Ų | 2 | 72 Ų | 72 | 1% | 0.012 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 117.7 | -178.2 | -168.6 | 0 | 0 | 0 | 0 | 110.4 | V374 I424 L439 A442 G443 V448 | V374-V446 PolarHBondContact N-O 3.43Å; V374-V446 PolarHBondContact O-N 3.05Å; I424-V446 HydrophobicContact CG2-CG1 3.58Å; L439-V446 HydrophobicContact CD2-CG1 4.4Å; A442-V446 HydrophobicContact CB-CB 4.36Å; A442-V446 HydrophobicContact CB-CG1 3.88Å; A442-V446 HydrophobicContact CB-CG2 3.68Å; G443-V446 WeakPolarHBondContact O-CG2 3.37Å; V446-V448 HydrophobicContact CG1-CG2 4.46Å |
| 447 | V | 80.9 | Confident | 68 | Low | 46 Ų | 46 | 77 Ų | 77 | 28% | 0.279 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 131.4 | 171.1 | -179.6 | 0 | 0 | 0 | 0 | 109.6 | Q371 G425 L449 | Q371-V447 HydrophobicContact CG-CG1 3.51Å; G425-V447 PolarHBondContact N-O 2.87Å; V447-L449 HydrophobicContact CG1-CD1 4.01Å |
| 448 | V | 82.9 | Confident | 65.4 | Low | 1 Ų | 1 | 77.1 Ų | 77.1 | 1% | 0.006 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 121.5 | 178.3 | 178.9 | 0 | 0 | 0 | 0 | 109.1 | T372 V374 L415 L421 I424 V446 | T372-V448 HydrophobicContact CG2-CB 4.26Å; T372-V448 PolarHBondContact N-O 2.9Å; T372-V448 PolarHBondContact O-N 2.76Å; V374-V448 HydrophobicContact CG2-CB 4.4Å; V374-V448 HydrophobicContact CG2-CG2 3.76Å; L415-V448 HydrophobicContact CD1-CG1 4.29Å; L421-V448 HydrophobicContact CD2-CG1 3.59Å; I424-V448 HydrophobicContact CG1-CG1 4.39Å; I424-V448 HydrophobicContact CG1-CG2 4.39Å; V446-V448 HydrophobicContact CG1-CG2 4.46Å |
| 449 | L | 80 | Confident | 62.9 | Low | 51 Ų | 51 | 81.7 Ų | 81.7 | 27% | 0.267 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 128.3 | 169.8 | -76.6 | 78.9 | 0 | 0 | 0 | 109 | K370 Q371 I422 A423 V447 | K370-L449 WeakPolarHBondContact O-CA 3.33Å; Q371-L449 HydrophobicContact CB-CG 4.49Å; Q371-L449 HydrophobicContact CG-CD1 4.31Å; I422-L449 HydrophobicContact CB-CB 4.33Å; I422-L449 PolarHBondContact N-O 3.21Å; A423-L449 HydrophobicContact CB-CB 4.29Å; A423-L449 HydrophobicContact CB-CD1 4.47Å; A423-L449 PolarHBondContact N-O 3.37Å; A423-L449 PolarHBondContact O-N 2.89Å; V447-L449 HydrophobicContact CG1-CD1 4.01Å |
| 450 | Y | 81.2 | Confident | 60.7 | Low | 7 Ų | 7 | 87.2 Ų | 87.2 | 3% | 0.027 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 145.7 | -178.4 | 70.6 | -83.8 | 0 | 0 | 0 | 112.7 | I369 K370 T372 L415 D419 R420 R452 | I369-Y450 CarbonylContact C-O 3.55Å; I369-Y450 WeakPolarHBondContact CA-O 3.5Å; K370-Y450 HydrophobicContact CB-CD1 4.18Å; K370-Y450 HydrophobicContact CB-CD2 4.48Å; K370-Y450 HydrophobicContact CB-CE1 3.66Å; K370-Y450 HydrophobicContact CB-CE2 3.98Å; K370-Y450 HydrophobicContact CD-CE2 4.07Å; K370-Y450 WeakPolarHBondContact CD-OH 3.36Å; K370-Y450 PolarHBondContact N-O 3.15Å; K370-Y450 WeakPolarHBondContact O-CD1 3.28Å; K370-Y450 PolarHBondContact O-N 3.47Å; T372-Y450 HydrophobicContact CG2-CD1 4.11Å; T372-Y450 HydrophobicContact CG2-CE1 3.68Å; L415-Y450 HydrophobicContact CD2-CD1 3.46Å; L415-Y450 VanDerWaalsContact CD2-CD1 3.46Å; L415-Y450 HydrophobicContact CD2-CD2 4.32Å; L415-Y450 HydrophobicContact CD2-CE1 3.5Å; L415-Y450 HydrophobicContact CD2-CE2 4.37Å; L415-Y450 HydrophobicContact CD2-CG 3.88Å; D419-Y450 HydrophobicContact CB-CD2 3.79Å; D419-Y450 HydrophobicContact CB-CE2 4.46Å; D419-Y450 HydrophobicContact CB-CG 4.43Å; R420-Y450 CarbonylContact O-C 3.53Å; R420-Y450 WeakPolarHBondContact O-CA 3.34Å; R420-Y450 WeakPolarHBondContact O-CB 3.22Å; Y450-R452 HydrophobicContact CE2-CB 4.34Å; Y450-R452 PolarHBondContact OH-NH2 3.27Å |
| 451 | E | 75.1 | Confident | 58.6 | Low | 33 Ų | 33 | 87.6 Ų | 87.6 | 15% | 0.154 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 139.8 | 164.9 | 159.5 | 173.7 | -146.3 | 0 | 0 | 108.5 | S367 D419 R420 I422 P453 | S367-E451 WeakPolarHBondContact CB-OE1 3.28Å; S367-E451 PolarHBondContact OG-OE1 3.12Å; D419-E451 CarbonylContact C-O 3.08Å; D419-E451 WeakPolarHBondContact CA-O 3.38Å; R420-E451 HydrophobicContact CB-CB 4.15Å; R420-E451 HydrophobicContact CB-CG 4.38Å; R420-E451 WeakPolarHBondContact CD-OE2 3.43Å; R420-E451 HydrophobicContact CG-CB 4.48Å; R420-E451 IonicContact CZ-OE2 3.02Å; R420-E451 PolarHBondContact N-O 3.34Å; R420-E451 IonicContact NE-OE2 3.2Å; R420-E451 IonicContact NH1-OE2 2.72Å; R420-E451 PolarHBondContact NH1-OE2 2.95Å; R420-E451 PolarHBondContact O-N 2.92Å; I422-E451 HydrophobicContact CD1-CB 4.05Å; E451-P453 WeakPolarHBondContact O-CD 3.36Å |
| 452 | R | 76.1 | Confident | 56.4 | Low | 42 Ų | 42 | 82.9 Ų | 82.9 | 16% | 0.158 | 46% | 0.461 | C | S | . | . | trans | -105.1 | 92 | 175.3 | -179.5 | 159.4 | -71.9 | 159.7 | 9.6 | 110.8 | D414 D419 Y450 | D414-R452 PolarHBondContact O-NH2 3.26Å; D414-R452 IonicContact OD1-NH1 2.99Å; D414-R452 IonicContact OD2-CZ 3.35Å; D414-R452 IonicContact OD2-NH1 3.69Å; D414-R452 PolarHBondContact OD2-NH1 3.27Å; D414-R452 IonicContact OD2-NH2 3.68Å; D419-R452 WeakPolarHBondContact OD1-CG 3.29Å; D419-R452 IonicContact OD1-CZ 3.08Å; D419-R452 IonicContact OD1-NE 2.95Å; D419-R452 PolarHBondContact OD1-NE 3.08Å; D419-R452 IonicContact OD1-NH2 3.55Å; D419-R452 PolarHBondContact OD1-NH2 3.5Å; D419-R452 IonicContact OD2-CZ 2.69Å; D419-R452 IonicContact OD2-NE 2.63Å; D419-R452 IonicContact OD2-NH2 2.73Å; D419-R452 PolarHBondContact OD2-NH2 2.87Å; Y450-R452 HydrophobicContact CE2-CB 4.34Å; Y450-R452 PolarHBondContact OH-NH2 3.27Å | ||
| 453 | P | 55 | Low | 54.4 | Low | 50 Ų | 50 | 89.9 Ų | 89.9 | 33% | 0.325 | 50% | 0.495 | S | S | . | . | trans | -73 | 160.3 | -179.9 | 31.5 | -35.8 | 0 | 0 | 0 | 112.4 | G418 E451 R455 | G418-P453 VanDerWaalsContact O-CD 3.3Å; G418-P453 WeakPolarHBondContact O-CD 3.38Å; G418-P453 WeakPolarHBondContact O-CG 3.43Å; E451-P453 WeakPolarHBondContact O-CD 3.36Å; P453-R455 PolarHBondContact O-N 3.22Å | ||
| 454 | V | 43.4 | Very low | 52.5 | Low | 69 Ų | 69 | 96 Ų | 96 | 42% | 0.418 | 51% | 0.514 | S | S | . | . | trans | -66.7 | 116.8 | -175.2 | -166 | 0 | 0 | 0 | 0 | 110.8 | H456 L771 | V454-H456 PolarHBondContact O-N 3.42Å; V454-L771 WeakPolarHBondContact CG2-O 3.35Å | ||
| 455 | R | 39.2 | Very low | 50.3 | Low | 120 Ų | 120 | 93 Ų | 93 | 45% | 0.453 | 51% | 0.514 | S | S | . | . | trans | -75.3 | 113.3 | 173 | -77.4 | -171.8 | 179.8 | 163 | 6.1 | 111.7 | K417 P453 | K417-R455 VanDerWaalsContact O-CZ 3.22Å; K417-R455 PolarHBondContact O-NE 3.06Å; K417-R455 PolarHBondContact O-NH2 3.07Å; P453-R455 PolarHBondContact O-N 3.22Å | ||
| 456 | H | 32.5 | Very low | 48 | Very low | 169 Ų | 169 | 92.3 Ų | 92.3 | 78% | 0.782 | 53% | 0.528 | S | S | * | . | trans | -89.1 | 121 | 151.7 | -67.5 | -44.2 | 0 | 0 | 0 | 109.6 | V454 | V454-H456 PolarHBondContact O-N 3.42Š| ||
| 457 | Q | 26.2 | Very low | 45.4 | Very low | 160 Ų | 160 | 100.2 Ų | 100.2 | 75% | 0.748 | 57% | 0.569 | S | S | * | * | trans | -102.8 | 110.8 | 169.2 | -77 | -170.6 | -11.3 | 0 | 0 | 109.8 | P459 | Q457-P459 WeakPolarHBondContact O-CD 3.49Š| ||
| 458 | T | 25.3 | Very low | 42.7 | Very low | 136 Ų | 136 | 106.7 Ų | 106.7 | 83% | 0.834 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 116.9 | 162.3 | 16.2 | 0 | 0 | 0 | 0 | 109.4 | ||
| 459 | P | 27.9 | Very low | 39.9 | Very low | 115 Ų | 115 | 115.4 Ų | 115.4 | 75% | 0.747 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 128 | 176.4 | 30.8 | -32.3 | 0 | 0 | 0 | 110.8 | Q457 | Q457-P459 WeakPolarHBondContact O-CD 3.49Š|
| 460 | P | 31.7 | Very low | 37.3 | Very low | 132 Ų | 132 | 116.8 Ų | 116.8 | 86% | 0.857 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 152.2 | 173.3 | 30.2 | -34.3 | 0 | 0 | 0 | 111.6 | ||
| 461 | L | 32.1 | Very low | 34.6 | Very low | 178 Ų | 178 | 125.3 Ų | 125.3 | 93% | 0.932 | 71% | 0.708 | S | S | * | * | trans | -99.2 | 115.2 | -169 | -179.5 | 65.1 | 0 | 0 | 0 | 113.1 | ||||
| 462 | G | 27.8 | Very low | 32 | Very low | 63 Ų | 63 | 127.2 Ų | 127.2 | 65% | 0.649 | 74% | 0.737 | S | S | * | * | trans | 90.4 | 112.3 | 144.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 463 | N | 26.1 | Very low | 29.5 | Very low | 176 Ų | 176 | 133.7 Ų | 133.7 | 94% | 0.941 | 77% | 0.769 | S | S | * | * | -156.1 | 169.3 | 112.9 | -116.5 | -18.4 | 0 | 0 | 0 | 111 | |||||
| 464 | L | 29.1 | Very low | 28.2 | Very low | 176 Ų | 176 | 137 Ų | 137 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | trans | -139.7 | 139.4 | -158.6 | -167.9 | 77.2 | 0 | 0 | 0 | 114.1 | ||||
| 465 | G | 25 | Very low | 27.2 | Very low | 65 Ų | 65 | 141.5 Ų | 141.5 | 67% | 0.67 | 80% | 0.8 | S | S | * | * | trans | 105.3 | 148.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 466 | T | 27.8 | Very low | 26.6 | Very low | 148 Ų | 148 | 143.1 Ų | 143.1 | 91% | 0.908 | 81% | 0.813 | S | S | * | * | cis | -152.2 | 168.9 | -4.8 | 24.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 467 | L | 27.4 | Very low | 26.1 | Very low | 168 Ų | 168 | 140.5 Ų | 140.5 | 88% | 0.88 | 81% | 0.808 | S | S | * | * | trans | -57 | 152.3 | 172.7 | -68.8 | 161.4 | 0 | 0 | 0 | 111.8 | ||||
| 468 | Q | 24.5 | Very low | 25.9 | Very low | 181 Ų | 181 | 136.7 Ų | 136.7 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | -172 | 169.2 | 80.2 | -173.3 | 159.4 | 4.9 | 0 | 0 | 113.2 | |||||
| 469 | E | 25.8 | Very low | 25.9 | Very low | 185 Ų | 185 | 139.5 Ų | 139.5 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | -76.6 | 156 | 175.2 | -56.2 | 152.3 | 107.1 | 0 | 0 | 113.7 | ||||
| 470 | G | 23.4 | Very low | 25.6 | Very low | 79 Ų | 79 | 140 Ų | 140 | 81% | 0.814 | 80% | 0.801 | S | S | * | * | trans | 163 | 148.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 471 | L | 24.7 | Very low | 25.9 | Very low | 186 Ų | 186 | 139.2 Ų | 139.2 | 97% | 0.974 | 80% | 0.797 | S | S | * | * | trans | -80.6 | 146.7 | 167.4 | -87 | 65.5 | 0 | 0 | 0 | 110.6 | ||||
| 472 | G | 22.1 | Very low | 25.3 | Very low | 73 Ų | 73 | 139.3 Ų | 139.3 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | trans | 161.8 | 100.1 | 159.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 473 | Q | 23.3 | Very low | 26 | Very low | 178 Ų | 178 | 140.8 Ų | 140.8 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | 33.6 | 139.2 | 139 | -84.2 | 179.8 | -66.1 | 0 | 0 | 124.6 | ||||
| 474 | L | 26.1 | Very low | 25.9 | Very low | 119 Ų | 119 | 138.4 Ų | 138.4 | 62% | 0.623 | 78% | 0.782 | S | S | * | * | trans | 80 | 128.7 | 139.2 | -69.8 | 163 | 0 | 0 | 0 | 121.3 | ||||
| 475 | E | 22.7 | Very low | 25.6 | Very low | 165 Ų | 165 | 133.4 Ų | 133.4 | 77% | 0.771 | 76% | 0.762 | S | S | * | * | trans | 48.9 | 145 | 132.4 | -73.6 | 165.3 | -168.4 | 0 | 0 | 121.7 | ||||
| 476 | E | 26.2 | Very low | 25.8 | Very low | 154 Ų | 154 | 140.1 Ų | 140.1 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | cis | -169.2 | 163.3 | -17.3 | -148.5 | -163.7 | 153.3 | 0 | 0 | 108.2 | ||||
| 477 | T | 23.5 | Very low | 25.8 | Very low | 113 Ų | 113 | 140.9 Ų | 140.9 | 69% | 0.693 | 76% | 0.762 | S | S | * | * | trans | 62.5 | 161.1 | 158.6 | 55.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 478 | S | 22 | Very low | 25.8 | Very low | 81 Ų | 81 | 141.4 Ų | 141.4 | 57% | 0.566 | 76% | 0.76 | S | S | * | * | cis | -161.2 | 151.5 | -12 | -109.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 479 | F | 25.8 | Very low | 25.9 | Very low | 195 Ų | 195 | 139.4 Ų | 139.4 | 86% | 0.855 | 76% | 0.755 | S | S | * | * | trans | 50.8 | 132.6 | 146.7 | -60.9 | -59 | 0 | 0 | 0 | 125.9 | ||||
| 480 | T | 20.7 | Very low | 26.4 | Very low | 124 Ų | 124 | 136.2 Ų | 136.2 | 76% | 0.761 | 75% | 0.75 | S | S | * | * | trans | -69.4 | -178 | 151.7 | 50.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 481 | P | 37.1 | Very low | 26.8 | Very low | 116 Ų | 116 | 136.6 Ų | 136.6 | 75% | 0.753 | 75% | 0.746 | S | S | * | * | cis | -144.7 | -177.8 | 14.8 | 39.8 | -16.3 | 0 | 0 | 0 | 118.9 | ||||
| 482 | Q | 20.8 | Very low | 27.5 | Very low | 181 Ų | 181 | 132.9 Ų | 132.9 | 85% | 0.846 | 73% | 0.733 | S | S | * | * | trans | -6.7 | 175.8 | 142.2 | -104.3 | 179.3 | -9.4 | 0 | 0 | 121.8 | ||||
| 483 | P | 42.8 | Very low | 27.8 | Very low | 94 Ų | 94 | 136.7 Ų | 136.7 | 61% | 0.61 | 73% | 0.734 | S | S | * | * | cis | -143.2 | -157.1 | -3.1 | 35.7 | -11.1 | 0 | 0 | 0 | 116.2 | ||||
| 484 | T | 22.7 | Very low | 27.9 | Very low | 125 Ų | 125 | 132.9 Ų | 132.9 | 77% | 0.767 | 73% | 0.727 | S | S | * | * | trans | 72 | 149.9 | 150.3 | 42.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 485 | S | 23.5 | Very low | 27.9 | Very low | 71 Ų | 71 | 133.5 Ų | 133.5 | 50% | 0.497 | 73% | 0.731 | S | S | . | * | cis | -177.7 | 164 | -17.6 | 45.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 486 | Y | 28.2 | Very low | 28.1 | Very low | 206 Ų | 206 | 133 Ų | 133 | 81% | 0.808 | 73% | 0.733 | S | S | * | * | trans | 60.8 | 162.9 | 159 | 69 | -119.2 | 0 | 0 | 0 | 118.4 | ||||
| 487 | E | 28.2 | Very low | 28.1 | Very low | 164 Ų | 164 | 130.5 Ų | 130.5 | 77% | 0.766 | 73% | 0.733 | S | S | * | * | cis | -157.3 | 171 | -17.7 | -125.5 | 174.8 | 157.9 | 0 | 0 | 112 | ||||
| 488 | E | 27.2 | Very low | 28.3 | Very low | 179 Ų | 179 | 131.8 Ų | 131.8 | 84% | 0.836 | 74% | 0.735 | S | S | * | * | trans | 51.8 | 148.6 | 156.1 | -69.4 | -167.1 | 119.3 | 0 | 0 | 124.9 | ||||
| 489 | D | 27.2 | Very low | 28.7 | Very low | 140 Ų | 140 | 134.9 Ų | 134.9 | 75% | 0.749 | 74% | 0.744 | S | S | * | * | trans | -111.4 | 144.6 | 169.6 | 175.8 | 49.2 | 0 | 0 | 0 | 107.5 | ||||
| 490 | P | 36.3 | Very low | 29 | Very low | 117 Ų | 117 | 130.1 Ų | 130.1 | 76% | 0.76 | 74% | 0.735 | S | S | * | * | -153.8 | 156.8 | 98.1 | 38 | -19 | 0 | 0 | 0 | 117.2 | |||||
| 491 | A | 32.6 | Very low | 29.5 | Very low | 87 Ų | 87 | 130.7 Ų | 130.7 | 72% | 0.719 | 73% | 0.733 | S | S | * | * | trans | -85.8 | 157.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 492 | P | 37.6 | Very low | 29.1 | Very low | 109 Ų | 109 | 131.7 Ų | 131.7 | 71% | 0.708 | 73% | 0.732 | S | S | * | * | -152.9 | 131.8 | 125 | 31.8 | -11.4 | 0 | 0 | 0 | 119 | |||||
| 493 | I | 29.1 | Very low | 29.6 | Very low | 153 Ų | 153 | 131 Ų | 131 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | 71.8 | 135.4 | 127.7 | -55.6 | 166.1 | 0 | 0 | 0 | 122.2 | |||||
| 494 | S | 24.7 | Very low | 29.2 | Very low | 97 Ų | 97 | 132.6 Ų | 132.6 | 68% | 0.678 | 73% | 0.73 | S | S | * | * | trans | 80.7 | 152.1 | 153.2 | -85.6 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 495 | N | 26.2 | Very low | 29.5 | Very low | 132 Ų | 132 | 134.3 Ų | 134.3 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | cis | -169.2 | 140.1 | -19.2 | 49.3 | -16.6 | 0 | 0 | 0 | 116 | ||||
| 496 | L | 27.4 | Very low | 29.9 | Very low | 155 Ų | 155 | 137.9 Ų | 137.9 | 81% | 0.812 | 75% | 0.745 | S | S | * | * | trans | 60.7 | 143 | 144.2 | -69 | 167.6 | 0 | 0 | 0 | 125.7 | ||||
| 497 | S | 26.8 | Very low | 30.1 | Very low | 102 Ų | 102 | 134.3 Ų | 134.3 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | trans | 68.2 | 146.5 | 149.7 | 44.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 498 | D | 27.5 | Very low | 30.3 | Very low | 140 Ų | 140 | 134.8 Ų | 134.8 | 75% | 0.749 | 75% | 0.752 | S | S | * | * | cis | -164.4 | 163.5 | -1.1 | -120 | -25.3 | 0 | 0 | 0 | 115.7 | ||||
| 499 | I | 31 | Very low | 30.4 | Very low | 145 Ų | 145 | 134.3 Ų | 134.3 | 74% | 0.744 | 75% | 0.748 | S | S | * | * | trans | 71.9 | 118.9 | 143.8 | -68.4 | 164.9 | 0 | 0 | 0 | 124.4 | ||||
| 500 | S | 30.8 | Very low | 30.9 | Very low | 96 Ų | 96 | 134.7 Ų | 134.7 | 67% | 0.671 | 75% | 0.745 | S | S | * | * | trans | 68 | 121.6 | 136.3 | -166.5 | 0 | 0 | 0 | 0 | 126.7 | ||||
| 501 | D | 32 | Very low | 31.1 | Very low | 136 Ų | 136 | 136.5 Ų | 136.5 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | trans | -10.9 | 137.5 | 147.3 | -45.2 | -25.4 | 0 | 0 | 0 | 122.4 | ||||
| 502 | N | 28.9 | Very low | 31.3 | Very low | 136 Ų | 136 | 138.3 Ų | 138.3 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | 170.6 | 137.4 | 101.7 | -97.6 | -82.4 | 0 | 0 | 0 | 116.9 | |||||
| 503 | K | 31.5 | Very low | 30.8 | Very low | 168 Ų | 168 | 140.4 Ų | 140.4 | 73% | 0.73 | 75% | 0.745 | S | S | * | * | trans | 54.2 | 121.2 | 140.4 | -73.5 | -166.6 | 162.5 | -170.1 | 0 | 127.1 | ||||
| 504 | D | 33.3 | Very low | 31 | Very low | 126 Ų | 126 | 138.9 Ų | 138.9 | 67% | 0.674 | 74% | 0.742 | S | S | * | * | 67.4 | 146.9 | 118.2 | -57.6 | -27.9 | 0 | 0 | 0 | 125.6 | |||||
| 505 | M | 29.8 | Very low | 31.2 | Very low | 161 Ų | 161 | 139.9 Ų | 139.9 | 79% | 0.793 | 74% | 0.74 | S | S | * | * | trans | 92.4 | 99.5 | 156.7 | -64.8 | -59.8 | 172.2 | 0 | 0 | 122.7 | ||||
| 506 | D | 31.6 | Very low | 31.5 | Very low | 146 Ų | 146 | 138.4 Ų | 138.4 | 78% | 0.781 | 74% | 0.736 | S | S | * | * | 28.6 | 144.8 | 125.7 | -64.7 | -7.6 | 0 | 0 | 0 | 124.2 | |||||
| 507 | S | 31.9 | Very low | 31.7 | Very low | 132 Ų | 132 | 138.1 Ų | 138.1 | 92% | 0.923 | 73% | 0.728 | S | S | * | * | trans | -160.5 | 167.8 | 147.5 | -79.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 508 | E | 32.5 | Very low | 31.7 | Very low | 174 Ų | 174 | 140.5 Ų | 140.5 | 81% | 0.813 | 73% | 0.732 | S | S | * | * | trans | -139 | 160 | -149 | -167.1 | 177.4 | -148.9 | 0 | 0 | 114 | ||||
| 509 | F | 30.4 | Very low | 31.5 | Very low | 169 Ų | 169 | 140.6 Ų | 140.6 | 74% | 0.741 | 73% | 0.732 | S | S | * | * | trans | 67.8 | 165.5 | 157.6 | -107.9 | -147.9 | 0 | 0 | 0 | 119.2 | ||||
| 510 | E | 37.3 | Very low | 31.4 | Very low | 147 Ų | 147 | 142 Ų | 142 | 69% | 0.687 | 74% | 0.736 | S | S | * | * | cis | -150.2 | -167 | -2.9 | -157.6 | 165.7 | -170.9 | 0 | 0 | 111.6 | ||||
| 511 | E | 39.5 | Very low | 32 | Very low | 155 Ų | 155 | 143.3 Ų | 143.3 | 72% | 0.724 | 74% | 0.742 | S | S | * | * | trans | -69.2 | -163.9 | -170 | -49.7 | -176.8 | 111.6 | 0 | 0 | 117.9 | ||||
| 512 | L | 37.5 | Very low | 31.7 | Very low | 125 Ų | 125 | 143 Ų | 143 | 65% | 0.654 | 75% | 0.75 | S | S | * | * | cis | -169.8 | 176.1 | 22.3 | -137.4 | 172.7 | 0 | 0 | 0 | 113.5 | V514 | L512-V514 HydrophobicContact CD2-CG2 4.28Š| ||
| 513 | L | 26.5 | Very low | 31.6 | Very low | 154 Ų | 154 | 139.8 Ų | 139.8 | 81% | 0.806 | 75% | 0.749 | S | S | * | * | trans | 114.7 | 78.4 | 154.2 | -64.5 | 172.9 | 0 | 0 | 0 | 123.3 | ||||
| 514 | V | 34.2 | Very low | 32.3 | Very low | 121 Ų | 121 | 137.3 Ų | 137.3 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | 46 | 127 | 113.3 | -177.4 | 0 | 0 | 0 | 0 | 124.9 | L512 | L512-V514 HydrophobicContact CD2-CG2 4.28Š| |||
| 515 | D | 29.4 | Very low | 32 | Very low | 117 Ų | 117 | 137 Ų | 137 | 63% | 0.626 | 75% | 0.754 | S | S | * | * | -150.1 | -138.6 | 117.3 | -173.9 | 31.2 | 0 | 0 | 0 | 110.9 | K517 | D515-K517 IonicContact OD1-NZ 3.85Å; D515-K517 PolarHBondContact OD1-NZ 2.87Å; D515-K517 IonicContact OD2-NZ 3.81Å; D515-K517 PolarHBondContact OD2-NZ 3.47Å | |||
| 516 | T | 31.1 | Very low | 31.9 | Very low | 101 Ų | 101 | 136.3 Ų | 136.3 | 62% | 0.62 | 75% | 0.751 | S | S | * | * | trans | -149.9 | -147.1 | -159 | 51.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 517 | K | 31.3 | Very low | 31.7 | Very low | 150 Ų | 150 | 133.8 Ų | 133.8 | 65% | 0.652 | 75% | 0.745 | S | S | * | * | cis | -163.2 | 161.5 | 13.2 | -135.4 | 169.3 | -85.7 | 75.7 | 0 | 106.1 | D515 | D515-K517 IonicContact OD1-NZ 3.85Å; D515-K517 PolarHBondContact OD1-NZ 2.87Å; D515-K517 IonicContact OD2-NZ 3.81Å; D515-K517 PolarHBondContact OD2-NZ 3.47Å | ||
| 518 | L | 27.5 | Very low | 31.4 | Very low | 152 Ų | 152 | 134.2 Ų | 134.2 | 80% | 0.796 | 74% | 0.737 | S | S | * | * | cis | -123.2 | -104.8 | 6.6 | -169 | 23.1 | 0 | 0 | 0 | 109.8 | ||||
| 519 | N | 24.2 | Very low | 31.1 | Very low | 141 Ų | 141 | 131.4 Ų | 131.4 | 75% | 0.754 | 73% | 0.732 | S | S | * | * | cis | -153.3 | 176.2 | -18.8 | -158.4 | 6 | 0 | 0 | 0 | 110.4 | ||||
| 520 | Q | 27.8 | Very low | 30.8 | Very low | 176 Ų | 176 | 130.1 Ų | 130.1 | 82% | 0.822 | 73% | 0.733 | S | S | * | * | trans | -145.2 | 171.2 | -167.6 | -77.6 | -165.8 | 5.8 | 0 | 0 | 113.9 | ||||
| 521 | P | 43.8 | Very low | 30.4 | Very low | 123 Ų | 123 | 130.3 Ų | 130.3 | 80% | 0.799 | 74% | 0.737 | S | S | * | * | cis | -130.4 | -156.6 | 17 | 44.1 | -26.4 | 0 | 0 | 0 | 115.8 | ||||
| 522 | S | 26.1 | Very low | 29.9 | Very low | 129 Ų | 129 | 127.5 Ų | 127.5 | 90% | 0.902 | 74% | 0.735 | S | S | * | * | trans | -153 | 173.5 | -173.6 | 63.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 523 | G | 27.1 | Very low | 29.5 | Very low | 68 Ų | 68 | 130.1 Ų | 130.1 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | trans | -168.9 | 160.6 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 524 | P | 45.2 | Very low | 29.6 | Very low | 116 Ų | 116 | 130.1 Ų | 130.1 | 75% | 0.753 | 75% | 0.75 | S | S | * | * | trans | -136.7 | 169.1 | -153.1 | 39.5 | -20.6 | 0 | 0 | 0 | 119.8 | ||||
| 525 | T | 26.6 | Very low | 29.3 | Very low | 121 Ų | 121 | 132 Ų | 132 | 74% | 0.742 | 75% | 0.748 | S | S | * | * | trans | 79.3 | 138.8 | 141.9 | 37.9 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 526 | I | 28.1 | Very low | 29.3 | Very low | 146 Ų | 146 | 133.1 Ų | 133.1 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | trans | 92.6 | 114.6 | 134 | -76.9 | 165.3 | 0 | 0 | 0 | 123.2 | ||||
| 527 | S | 27.2 | Very low | 29.1 | Very low | 93 Ų | 93 | 134.3 Ų | 134.3 | 65% | 0.65 | 75% | 0.752 | S | S | * | * | trans | 62.8 | 146.8 | 140.5 | 81.4 | 0 | 0 | 0 | 0 | 126 | ||||
| 528 | N | 25.2 | Very low | 29 | Very low | 140 Ų | 140 | 135 Ų | 135 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | trans | 57.9 | 129.9 | 134.8 | -72.6 | 2.7 | 0 | 0 | 0 | 124.1 | ||||
| 529 | T | 26 | Very low | 28.9 | Very low | 115 Ų | 115 | 133.8 Ų | 133.8 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | trans | 60.2 | 114.7 | 139.4 | 57.1 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 530 | N | 25.6 | Very low | 29.2 | Very low | 143 Ų | 143 | 134.7 Ų | 134.7 | 77% | 0.765 | 75% | 0.753 | S | S | * | * | 72.5 | 130.5 | 127.2 | -74.2 | -3.1 | 0 | 0 | 0 | 123.3 | |||||
| 531 | I | 28.9 | Very low | 29.2 | Very low | 151 Ų | 151 | 130.2 Ų | 130.2 | 77% | 0.774 | 75% | 0.746 | S | S | * | * | trans | 95.1 | 137 | 139.2 | -70.9 | 162.2 | 0 | 0 | 0 | 120.2 | ||||
| 532 | S | 28.6 | Very low | 28.4 | Very low | 96 Ų | 96 | 130.3 Ų | 130.3 | 67% | 0.671 | 74% | 0.744 | S | S | * | * | trans | 60.3 | 110 | 162.7 | 61 | 0 | 0 | 0 | 0 | 122 | ||||
| 533 | E | 29.1 | Very low | 28.4 | Very low | 180 Ų | 180 | 130.5 Ų | 130.5 | 84% | 0.841 | 74% | 0.735 | S | S | * | * | 41.9 | 116.9 | 124.5 | -56.3 | -175.1 | 145.6 | 0 | 0 | 120.7 | |||||
| 534 | T | 27.8 | Very low | 28.4 | Very low | 153 Ų | 153 | 135.8 Ų | 135.8 | 94% | 0.939 | 74% | 0.741 | S | S | * | * | -166.5 | -154.7 | 102.9 | 22.1 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 535 | K | 28.9 | Very low | 27.4 | Very low | 160 Ų | 160 | 135.7 Ų | 135.7 | 70% | 0.696 | 74% | 0.743 | S | S | * | * | trans | -127.1 | 160.8 | -144.2 | -155.3 | 180 | 172.7 | -127.5 | 0 | 111.8 | ||||
| 536 | E | 29.3 | Very low | 28.6 | Very low | 141 Ų | 141 | 134.5 Ų | 134.5 | 66% | 0.659 | 74% | 0.738 | S | S | * | * | trans | 69.7 | 146.6 | 158 | -86.6 | 142 | -167.6 | 0 | 0 | 117.1 | ||||
| 537 | D | 27.6 | Very low | 28.6 | Very low | 126 Ų | 126 | 135.8 Ų | 135.8 | 67% | 0.674 | 74% | 0.738 | S | S | * | * | cis | -164.2 | 172 | -7.6 | -152 | -10.1 | 0 | 0 | 0 | 112.5 | ||||
| 538 | F | 27.8 | Very low | 28.9 | Very low | 165 Ų | 165 | 142 Ų | 142 | 72% | 0.724 | 75% | 0.748 | S | S | * | * | trans | 59.2 | 169.7 | 169 | -77.3 | -109.3 | 0 | 0 | 0 | 118.8 | ||||
| 539 | L | 26.8 | Very low | 29 | Very low | 126 Ų | 126 | 141 Ų | 141 | 66% | 0.66 | 75% | 0.747 | S | S | * | * | -159.5 | 140.4 | -56.7 | -110.1 | -162 | 0 | 0 | 0 | 110.4 | |||||
| 540 | L | 29.9 | Very low | 28.9 | Very low | 161 Ų | 161 | 141.5 Ų | 141.5 | 84% | 0.843 | 75% | 0.749 | S | S | * | * | trans | 64.2 | 165.8 | 165.4 | -51 | 168.8 | 0 | 0 | 0 | 115.2 | ||||
| 541 | A | 27.1 | Very low | 28.9 | Very low | 81 Ų | 81 | 138.8 Ų | 138.8 | 67% | 0.669 | 75% | 0.747 | S | S | * | * | cis | -155.3 | 167.6 | -1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 542 | V | 27.1 | Very low | 28.7 | Very low | 125 Ų | 125 | 138.4 Ų | 138.4 | 76% | 0.758 | 75% | 0.746 | S | S | * | * | trans | 59.3 | 103 | 143.5 | 179.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 543 | N | 25.8 | Very low | 28.7 | Very low | 133 Ų | 133 | 140.7 Ų | 140.7 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | 55.9 | 138 | 128.5 | -75.9 | -60.3 | 0 | 0 | 0 | 126.2 | |||||
| 544 | Q | 27.7 | Very low | 28.5 | Very low | 179 Ų | 179 | 136.5 Ų | 136.5 | 84% | 0.836 | 75% | 0.746 | S | S | * | * | trans | 88.8 | 159.3 | 141.3 | -77.1 | 177.4 | 64.8 | 0 | 0 | 121.1 | ||||
| 545 | S | 25 | Very low | 28.7 | Very low | 114 Ų | 114 | 135.4 Ų | 135.4 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | trans | -110.5 | -151.6 | -159.8 | -44.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 546 | P | 50.2 | Low | 28.5 | Very low | 97 Ų | 97 | 136.2 Ų | 136.2 | 63% | 0.63 | 75% | 0.748 | S | S | * | * | cis | -146 | -169.8 | -3.1 | 43.6 | -23.1 | 0 | 0 | 0 | 117.4 | ||||
| 547 | K | 30 | Very low | 29.2 | Very low | 172 Ų | 172 | 134.4 Ų | 134.4 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | trans | 73.2 | 121.7 | 148.5 | -79.4 | 165.7 | -162.3 | 172.6 | 0 | 118.3 | ||||
| 548 | R | 32.8 | Very low | 29 | Very low | 225 Ų | 225 | 136.8 Ų | 136.8 | 85% | 0.849 | 76% | 0.761 | S | S | * | * | 79.1 | 137.3 | 87.1 | -84.5 | -169.4 | 179.9 | -179.8 | -2.3 | 114 | |||||
| 549 | T | 26.3 | Very low | 28.8 | Very low | 119 Ų | 119 | 132.6 Ų | 132.6 | 73% | 0.73 | 76% | 0.763 | S | S | * | * | cis | -146.1 | -125.3 | -22 | -10.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 550 | V | 25 | Very low | 28.9 | Very low | 125 Ų | 125 | 132.5 Ų | 132.5 | 76% | 0.758 | 77% | 0.769 | S | S | * | * | cis | -160.1 | 146.9 | -5.7 | -142.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 551 | A | 25.8 | Very low | 28.7 | Very low | 86 Ų | 86 | 132.3 Ų | 132.3 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | trans | 61.9 | 167.4 | 154.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 552 | N | 25 | Very low | 29 | Very low | 142 Ų | 142 | 133.8 Ų | 133.8 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | cis | -155.7 | 170.5 | -8.2 | -139.4 | -15.2 | 0 | 0 | 0 | 113.8 | ||||
| 553 | L | 27.3 | Very low | 29.5 | Very low | 144 Ų | 144 | 132.9 Ų | 132.9 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | trans | 60.8 | 103.6 | 151.1 | -70.7 | 164.1 | 0 | 0 | 0 | 123.8 | ||||
| 554 | A | 25.9 | Very low | 29.5 | Very low | 93 Ų | 93 | 133.2 Ų | 133.2 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | 52.2 | 122.5 | 119 | 0 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 555 | S | 30.9 | Very low | 29.5 | Very low | 129 Ų | 129 | 131.8 Ų | 131.8 | 90% | 0.902 | 77% | 0.766 | S | S | * | * | trans | -161.6 | 171.4 | 135.9 | 45.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 556 | K | 25.8 | Very low | 29.6 | Very low | 177 Ų | 177 | 132.1 Ų | 132.1 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | trans | -136.3 | 172.5 | -170.4 | -96.9 | 178.2 | -175.6 | 170.1 | 0 | 108.4 | ||||
| 557 | P | 43.8 | Very low | 28.7 | Very low | 103 Ų | 103 | 138.3 Ų | 138.3 | 67% | 0.669 | 77% | 0.77 | S | S | * | * | cis | -139.6 | -160.1 | -20.8 | 35.5 | -13.1 | 0 | 0 | 0 | 113.2 | ||||
| 558 | L | 23.7 | Very low | 28.6 | Very low | 177 Ų | 177 | 138.8 Ų | 138.8 | 93% | 0.927 | 77% | 0.772 | S | S | * | * | trans | 69.7 | 164.6 | 158.9 | -64.5 | 167.8 | 0 | 0 | 0 | 117.9 | ||||
| 559 | G | 23.8 | Very low | 28.2 | Very low | 76 Ų | 76 | 135.4 Ų | 135.4 | 78% | 0.784 | 77% | 0.77 | S | S | * | * | trans | 124 | 56.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 560 | T | 27.7 | Very low | 28.3 | Very low | 125 Ų | 125 | 135.3 Ų | 135.3 | 77% | 0.767 | 77% | 0.765 | S | S | * | * | trans | -64.8 | 138.2 | 160.8 | 45.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 561 | I | 25.4 | Very low | 28.6 | Very low | 156 Ų | 156 | 136.3 Ų | 136.3 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | trans | -170.6 | 145.8 | 146.1 | -96.4 | 143.6 | 0 | 0 | 0 | 108.8 | P563 | I561-P563 HydrophobicContact CG2-CG 4.37Š| ||
| 562 | S | 34.3 | Very low | 28.7 | Very low | 112 Ų | 112 | 137.6 Ų | 137.6 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | trans | -128.2 | 128.4 | 168.2 | -56 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 563 | P | 37.6 | Very low | 29 | Very low | 106 Ų | 106 | 134 Ų | 134 | 69% | 0.688 | 76% | 0.76 | S | S | * | * | trans | -126.9 | 139.8 | 142.9 | 6 | 17 | 0 | 0 | 0 | 110.3 | I561 | I561-P563 HydrophobicContact CG2-CG 4.37Š| ||
| 564 | I | 26 | Very low | 29.2 | Very low | 141 Ų | 141 | 134.3 Ų | 134.3 | 72% | 0.723 | 76% | 0.762 | S | S | * | * | cis | 87.3 | 102.8 | 47.7 | -65.5 | 169.6 | 0 | 0 | 0 | 113.1 | ||||
| 565 | L | 26.4 | Very low | 29.1 | Very low | 148 Ų | 148 | 138.1 Ų | 138.1 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | trans | 78.6 | 155.3 | 147.9 | -71.9 | 170.8 | 0 | 0 | 0 | 123.5 | ||||
| 566 | N | 27 | Very low | 28.8 | Very low | 122 Ų | 122 | 136.7 Ų | 136.7 | 65% | 0.652 | 75% | 0.754 | S | S | * | * | trans | 85.7 | 141.2 | 161.4 | -61 | -52.9 | 0 | 0 | 0 | 117.6 | ||||
| 567 | R | 31.9 | Very low | 29.5 | Very low | 227 Ų | 227 | 133.4 Ų | 133.4 | 86% | 0.857 | 75% | 0.751 | S | S | * | * | cis | -151.7 | 159.4 | -0.1 | -133.1 | 164.6 | -175.9 | 146.2 | -1.7 | 112.7 | ||||
| 568 | K | 27.4 | Very low | 28.7 | Very low | 181 Ų | 181 | 136 Ų | 136 | 79% | 0.787 | 76% | 0.758 | S | S | * | * | trans | -77.9 | 146.9 | 169.6 | -82.9 | -174.4 | 172.3 | -174.6 | 0 | 112.6 | ||||
| 569 | L | 25.8 | Very low | 29.3 | Very low | 155 Ų | 155 | 135.5 Ų | 135.5 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | -144.2 | 127.7 | 126.7 | -89.5 | 114.1 | 0 | 0 | 0 | 106 | |||||
| 570 | N | 27.1 | Very low | 29.8 | Very low | 116 Ų | 116 | 137.8 Ų | 137.8 | 62% | 0.62 | 75% | 0.75 | S | S | * | * | 68.1 | 132.9 | 76.7 | -62 | -9.2 | 0 | 0 | 0 | 111.5 | |||||
| 571 | L | 32.9 | Very low | 29.7 | Very low | 147 Ų | 147 | 139.5 Ų | 139.5 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | cis | -154.5 | 160.7 | 6.2 | -149.3 | 50.7 | 0 | 0 | 0 | 107.7 | ||||
| 572 | V | 28.1 | Very low | 30.6 | Very low | 112 Ų | 112 | 136.9 Ų | 136.9 | 68% | 0.679 | 74% | 0.742 | S | S | * | * | cis | -107.3 | -143.2 | 9.8 | -138.9 | 0 | 0 | 0 | 0 | 109.7 | L574 | V572-L574 HydrophobicContact CG1-CD2 3.88Å; V572-L574 HydrophobicContact CG1-CG 3.95Å | ||
| 573 | G | 30.8 | Very low | 30.2 | Very low | 66 Ų | 66 | 139.7 Ų | 139.7 | 68% | 0.68 | 74% | 0.74 | S | S | * | * | cis | 93.1 | 158.7 | 1.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 574 | L | 30.2 | Very low | 29.6 | Very low | 151 Ų | 151 | 142.1 Ų | 142.1 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | cis | -141.8 | 170 | -3.5 | -60.7 | 172.2 | 0 | 0 | 0 | 107.9 | V572 | V572-L574 HydrophobicContact CG1-CD2 3.88Å; V572-L574 HydrophobicContact CG1-CG 3.95Å | ||
| 575 | Q | 24.7 | Very low | 29.8 | Very low | 174 Ų | 174 | 140.5 Ų | 140.5 | 81% | 0.813 | 74% | 0.744 | S | S | * | * | cis | -141.2 | -116.3 | 5.4 | -158.6 | 172.5 | -8.8 | 0 | 0 | 111.8 | ||||
| 576 | S | 24.5 | Very low | 30.3 | Very low | 99 Ų | 99 | 139.3 Ų | 139.3 | 69% | 0.692 | 75% | 0.745 | S | S | * | * | trans | -179.1 | -161.3 | -174.8 | -125.1 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 577 | P | 40.8 | Very low | 30.5 | Very low | 107 Ų | 107 | 142.7 Ų | 142.7 | 70% | 0.695 | 75% | 0.754 | S | S | * | * | cis | -130.7 | -173.3 | -1.3 | 18.4 | 9.7 | 0 | 0 | 0 | 112.6 | ||||
| 578 | L | 26.3 | Very low | 30.6 | Very low | 158 Ų | 158 | 137.8 Ų | 137.8 | 83% | 0.827 | 75% | 0.751 | S | S | * | * | cis | -154.1 | 166.6 | -18.7 | -114.2 | 161.5 | 0 | 0 | 0 | 109.2 | ||||
| 579 | K | 36.1 | Very low | 30.6 | Very low | 166 Ų | 166 | 134.1 Ų | 134.1 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | trans | -127.2 | 154.9 | 164.3 | -155.8 | 174.3 | -168.5 | 172.5 | 0 | 106.8 | ||||
| 580 | P | 35.9 | Very low | 31.7 | Very low | 125 Ų | 125 | 131.3 Ų | 131.3 | 81% | 0.812 | 74% | 0.739 | S | S | * | * | -146.3 | 175.6 | 123.4 | 32.9 | -14.8 | 0 | 0 | 0 | 115.4 | |||||
| 581 | Q | 25.2 | Very low | 31.7 | Very low | 160 Ų | 160 | 133.1 Ų | 133.1 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | trans | -114.4 | -149.2 | 169.8 | -55.7 | -173.9 | -44.1 | 0 | 0 | 107.1 | ||||
| 582 | P | 44.8 | Very low | 31.6 | Very low | 102 Ų | 102 | 134.6 Ų | 134.6 | 66% | 0.662 | 74% | 0.744 | S | S | * | * | cis | -141.1 | 179.9 | -14.5 | 35.3 | -13.8 | 0 | 0 | 0 | 117.3 | ||||
| 583 | K | 25.9 | Very low | 31.4 | Very low | 170 Ų | 170 | 134.8 Ų | 134.8 | 74% | 0.739 | 75% | 0.746 | S | S | * | * | trans | 89.7 | 141.1 | 137.2 | -105.3 | -174.9 | 168.3 | -145.3 | 0 | 122.7 | ||||
| 584 | E | 24.7 | Very low | 31.2 | Very low | 158 Ų | 158 | 137.1 Ų | 137.1 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | trans | 77.2 | 159.9 | 149.4 | -80.8 | 156.7 | -154.6 | 0 | 0 | 122 | ||||
| 585 | S | 30 | Very low | 30.9 | Very low | 107 Ų | 107 | 135.4 Ų | 135.4 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | trans | -123 | 161.6 | -160.8 | 58.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 586 | P | 37 | Very low | 31.4 | Very low | 122 Ų | 122 | 135.3 Ų | 135.3 | 79% | 0.792 | 75% | 0.752 | S | S | * | * | cis | -149.8 | -160.3 | 43.7 | 40.7 | -17.1 | 0 | 0 | 0 | 116.4 | ||||
| 587 | K | 30.5 | Very low | 32.2 | Very low | 194 Ų | 194 | 136.6 Ų | 136.6 | 84% | 0.843 | 76% | 0.758 | S | S | * | * | trans | -62.6 | 158.8 | 164.9 | -80.2 | -178 | 176.8 | -179.8 | 0 | 111.5 | ||||
| 588 | P | 33.2 | Very low | 31.6 | Very low | 124 Ų | 124 | 134.4 Ų | 134.4 | 81% | 0.805 | 75% | 0.754 | S | S | * | * | cis | -141.9 | -165.3 | 34.6 | 42.2 | -21.6 | 0 | 0 | 0 | 117 | ||||
| 589 | S | 27.8 | Very low | 31.8 | Very low | 104 Ų | 104 | 134.8 Ų | 134.8 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | -87.6 | -174.9 | 168.2 | 58.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 590 | P | 48.8 | Very low | 31.4 | Very low | 95 Ų | 95 | 131.9 Ų | 131.9 | 62% | 0.617 | 75% | 0.752 | S | S | * | * | cis | -146.7 | -166.8 | 11.4 | 38 | -13 | 0 | 0 | 0 | 118.1 | ||||
| 591 | H | 28.4 | Very low | 31.3 | Very low | 155 Ų | 155 | 130.2 Ų | 130.2 | 72% | 0.718 | 74% | 0.74 | S | S | * | * | trans | 80.3 | 121.6 | 158.3 | -62.9 | -32.7 | 0 | 0 | 0 | 120.4 | ||||
| 592 | K | 29 | Very low | 31.5 | Very low | 177 Ų | 177 | 131.5 Ų | 131.5 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | 79.8 | 150.7 | 97.9 | -65.9 | -173.8 | 171.5 | -176.4 | 0 | 113.6 | |||||
| 593 | T | 25 | Very low | 30.5 | Very low | 117 Ų | 117 | 136.5 Ų | 136.5 | 72% | 0.718 | 75% | 0.751 | S | S | * | * | cis | -159.6 | 156.6 | 28 | -33.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 594 | S | 26.1 | Very low | 31.1 | Very low | 115 Ų | 115 | 133.7 Ų | 133.7 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | 62.4 | 156.9 | 152.7 | 51.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 595 | S | 24.6 | Very low | 31.2 | Very low | 114 Ų | 114 | 130.4 Ų | 130.4 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | cis | -143.1 | 160.7 | 8.5 | 54.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 596 | E | 35.3 | Very low | 31.3 | Very low | 173 Ų | 173 | 131.8 Ų | 131.8 | 81% | 0.808 | 75% | 0.745 | S | S | * | * | trans | -45 | 167 | -178.2 | -54.9 | -159.2 | 128.1 | 0 | 0 | 119 | ||||
| 597 | P | 41.9 | Very low | 30.9 | Very low | 126 Ų | 126 | 133.6 Ų | 133.6 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | cis | -63.4 | 176.2 | 10.8 | -28.4 | 39.7 | 0 | 0 | 0 | 118.3 | ||||
| 598 | G | 27.2 | Very low | 31.7 | Very low | 60 Ų | 60 | 129.8 Ų | 129.8 | 62% | 0.619 | 74% | 0.742 | S | S | * | * | cis | 89.1 | 154.9 | 16.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 599 | E | 29.7 | Very low | 32.7 | Very low | 167 Ų | 167 | 129.1 Ų | 129.1 | 78% | 0.78 | 74% | 0.737 | S | S | * | * | cis | -163.1 | 168.4 | -3.9 | -107.4 | -64 | 90.4 | 0 | 0 | 107 | ||||
| 600 | S | 28.6 | Very low | 34 | Very low | 104 Ų | 104 | 130 Ų | 130 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | cis | -141.6 | -137.4 | 9 | 62 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 601 | V | 32.9 | Very low | 34.4 | Very low | 91 Ų | 91 | 130.7 Ų | 130.7 | 55% | 0.552 | 75% | 0.745 | S | S | * | * | trans | -141.1 | 131 | -137.1 | -176.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 602 | H | 29.7 | Very low | 35.3 | Very low | 186 Ų | 186 | 128.6 Ų | 128.6 | 86% | 0.861 | 75% | 0.745 | S | S | * | * | -172.1 | 165.8 | 114.4 | -99.3 | -69.9 | 0 | 0 | 0 | 114 | |||||
| 603 | R | 25.1 | Very low | 35.4 | Very low | 207 Ų | 207 | 125.1 Ų | 125.1 | 78% | 0.781 | 74% | 0.743 | S | S | * | * | trans | -144.1 | -162 | -159.2 | -127.8 | -169.6 | -174.9 | 179.3 | 2.8 | 110.5 | ||||
| 604 | P | 38.6 | Very low | 35.5 | Very low | 111 Ų | 111 | 131.2 Ų | 131.2 | 72% | 0.721 | 75% | 0.753 | S | S | * | * | cis | -122 | -167.8 | 12.1 | 47.9 | -32.8 | 0 | 0 | 0 | 112.8 | ||||
| 605 | T | 26.7 | Very low | 36.8 | Very low | 90 Ų | 90 | 131.5 Ų | 131.5 | 55% | 0.552 | 75% | 0.752 | S | S | * | * | cis | 82.4 | 136.6 | 4.5 | 66.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 606 | V | 31.4 | Very low | 37.9 | Very low | 136 Ų | 136 | 131.7 Ų | 131.7 | 82% | 0.824 | 75% | 0.75 | S | S | * | * | cis | -113.8 | -113.2 | 0.7 | -159.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 607 | L | 27.5 | Very low | 37.6 | Very low | 160 Ų | 160 | 129.8 Ų | 129.8 | 84% | 0.838 | 75% | 0.75 | S | S | * | * | cis | -159.3 | 142.1 | -6.6 | -138.2 | -169.7 | 0 | 0 | 0 | 108.4 | ||||
| 608 | P | 49 | Very low | 38.2 | Very low | 114 Ų | 114 | 129.2 Ų | 129.2 | 74% | 0.74 | 75% | 0.747 | S | S | * | * | trans | -107.5 | -93.7 | -164.7 | 18.5 | 2.8 | 0 | 0 | 0 | 123.7 | ||||
| 609 | P | 54.4 | Low | 39.3 | Very low | 109 Ų | 109 | 132.2 Ų | 132.2 | 71% | 0.708 | 76% | 0.756 | S | S | * | * | trans | -129.8 | -161.7 | -135.8 | 43.3 | -25 | 0 | 0 | 0 | 115.7 | ||||
| 610 | P | 53.3 | Low | 39.2 | Very low | 122 Ų | 122 | 135.9 Ų | 135.9 | 79% | 0.792 | 76% | 0.762 | S | S | * | * | cis | -120.4 | -80.6 | -15.6 | 15.7 | 8.8 | 0 | 0 | 0 | 122 | ||||
| 611 | P | 56.9 | Low | 39.9 | Very low | 110 Ų | 110 | 136 Ų | 136 | 71% | 0.714 | 76% | 0.76 | S | S | * | * | trans | -127.2 | -155.6 | -150.3 | 46.3 | -26.9 | 0 | 0 | 0 | 114.1 | ||||
| 612 | P | 49.4 | Very low | 39.7 | Very low | 112 Ų | 112 | 139.5 Ų | 139.5 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | cis | -141.5 | -178.7 | -2.9 | 43.5 | -23 | 0 | 0 | 0 | 119.2 | ||||
| 613 | S | 29.4 | Very low | 39.7 | Very low | 103 Ų | 103 | 136.8 Ų | 136.8 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | trans | 39.3 | 110 | 151.5 | 62.7 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 614 | R | 27.1 | Very low | 39.6 | Very low | 245 Ų | 245 | 137.4 Ų | 137.4 | 93% | 0.925 | 76% | 0.764 | S | S | * | * | trans | 47.2 | 153.4 | 141.1 | -69.3 | -174 | 174.9 | -171.2 | -1.2 | 121.2 | ||||
| 615 | P | 53.4 | Low | 38.9 | Very low | 121 Ų | 121 | 138.9 Ų | 138.9 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | cis | -122.2 | -127.3 | 16.3 | 37.5 | -13.8 | 0 | 0 | 0 | 111.7 | ||||
| 616 | P | 47.6 | Very low | 38.7 | Very low | 118 Ų | 118 | 140.3 Ų | 140.3 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | cis | -127.2 | -141.8 | -7.4 | 43.5 | -22.2 | 0 | 0 | 0 | 116.2 | ||||
| 617 | V | 30 | Very low | 38.3 | Very low | 133 Ų | 133 | 138.8 Ų | 138.8 | 81% | 0.806 | 77% | 0.769 | S | S | * | * | trans | -161.5 | 166.3 | -154.3 | 177.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 618 | P | 53.7 | Low | 38 | Very low | 115 Ų | 115 | 135.3 Ų | 135.3 | 75% | 0.747 | 76% | 0.763 | S | S | * | * | cis | -115.1 | -163.4 | -25 | 37.6 | -19.3 | 0 | 0 | 0 | 113 | ||||
| 619 | P | 50.3 | Low | 36.8 | Very low | 123 Ų | 123 | 135.2 Ų | 135.2 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | -159.4 | -168.8 | 94.5 | 42.3 | -20.3 | 0 | 0 | 0 | 117.6 | |||||
| 620 | R | 28.7 | Very low | 35.4 | Very low | 243 Ų | 243 | 134.9 Ų | 134.9 | 92% | 0.917 | 77% | 0.766 | S | S | * | * | trans | -167.6 | -171 | 170.3 | -113.8 | 179.6 | 177.5 | -172.7 | -1.6 | 110.4 | ||||
| 621 | P | 43.7 | Very low | 34.1 | Very low | 106 Ų | 106 | 137 Ų | 137 | 69% | 0.688 | 77% | 0.765 | S | S | * | * | cis | -145.5 | 170.9 | 13.6 | 46.4 | -26.6 | 0 | 0 | 0 | 120.6 | ||||
| 622 | Q | 27.7 | Very low | 32.7 | Very low | 166 Ų | 166 | 137.9 Ų | 137.9 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | trans | 55.5 | 123 | 134.5 | -72 | -176.9 | -15.9 | 0 | 0 | 129 | ||||
| 623 | I | 29.5 | Very low | 31.5 | Very low | 129 Ų | 129 | 137 Ų | 137 | 66% | 0.662 | 77% | 0.765 | S | S | * | * | 90.9 | 124.9 | 117.3 | -70.2 | 174.2 | 0 | 0 | 0 | 125 | |||||
| 624 | R | 23 | Very low | 31.5 | Very low | 220 Ų | 220 | 139.4 Ų | 139.4 | 83% | 0.83 | 77% | 0.769 | S | S | * | * | trans | 78.1 | 128.8 | 147.6 | -88.6 | 177.2 | -175.6 | -139.7 | 0.9 | 126.2 | ||||
| 625 | L | 23.9 | Very low | 31.6 | Very low | 141 Ų | 141 | 134.5 Ų | 134.5 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | trans | 67 | 160.2 | 135 | -105.2 | 82.3 | 0 | 0 | 0 | 125.2 | ||||
| 626 | T | 23.1 | Very low | 30.4 | Very low | 120 Ų | 120 | 137.4 Ų | 137.4 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | trans | 83.5 | 100.1 | 152.6 | 24.7 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 627 | S | 22.5 | Very low | 29.5 | Very low | 105 Ų | 105 | 134.8 Ų | 134.8 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | 64.3 | 119.5 | 117.7 | 66.5 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 628 | A | 21.5 | Very low | 29.5 | Very low | 87 Ų | 87 | 134.9 Ų | 134.9 | 72% | 0.719 | 76% | 0.758 | S | S | * | * | 80.1 | 139.4 | 122.5 | 0 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 629 | S | 22.8 | Very low | 28.3 | Very low | 112 Ų | 112 | 135 Ų | 135 | 78% | 0.783 | 75% | 0.753 | S | S | * | * | trans | 65.7 | 158 | 148.8 | 62.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 630 | S | 24.9 | Very low | 27.3 | Very low | 102 Ų | 102 | 136.6 Ų | 136.6 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | cis | -167.5 | 158 | -29.7 | -92.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 631 | E | 26.3 | Very low | 27.3 | Very low | 167 Ų | 167 | 129.9 Ų | 129.9 | 78% | 0.78 | 74% | 0.739 | S | S | * | * | trans | 59.7 | 116.1 | 146.1 | -73.9 | -176.8 | 158.6 | 0 | 0 | 124 | ||||
| 632 | T | 27.2 | Very low | 26.6 | Very low | 128 Ų | 128 | 130.4 Ų | 130.4 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | trans | 70 | 165.9 | 137.3 | 77.9 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 633 | S | 25.7 | Very low | 26.6 | Very low | 93 Ų | 93 | 128.7 Ų | 128.7 | 65% | 0.65 | 74% | 0.737 | S | S | * | * | cis | -150 | 150.5 | 17.6 | -83.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 634 | L | 28.6 | Very low | 26.5 | Very low | 153 Ų | 153 | 127.6 Ų | 127.6 | 80% | 0.801 | 74% | 0.737 | S | S | * | * | trans | 45.1 | 131.9 | 138.5 | -58.4 | 165.7 | 0 | 0 | 0 | 123.2 | ||||
| 635 | L | 29.9 | Very low | 26.7 | Very low | 142 Ų | 142 | 123.8 Ų | 123.8 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | 173.2 | 142.5 | 99 | -87.9 | 174.5 | 0 | 0 | 0 | 114.8 | |||||
| 636 | E | 27.5 | Very low | 27.1 | Very low | 182 Ų | 182 | 122.7 Ų | 122.7 | 85% | 0.85 | 74% | 0.736 | S | S | * | * | trans | 19.4 | 148.1 | 148.9 | -62.3 | 167 | 162.1 | 0 | 0 | 123.4 | ||||
| 637 | G | 29 | Very low | 27.3 | Very low | 63 Ų | 63 | 122.1 Ų | 122.1 | 65% | 0.649 | 73% | 0.733 | S | S | * | * | cis | 158.4 | 162.3 | -7.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 638 | V | 29 | Very low | 27.5 | Very low | 136 Ų | 136 | 122.6 Ų | 122.6 | 82% | 0.824 | 73% | 0.731 | S | S | * | * | trans | 66.9 | 140.9 | 157.8 | -177.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 639 | D | 28.5 | Very low | 27.8 | Very low | 118 Ų | 118 | 124.9 Ų | 124.9 | 63% | 0.631 | 74% | 0.736 | S | S | * | * | cis | -160 | 162.5 | -31.4 | -96.2 | -23.3 | 0 | 0 | 0 | 105.3 | ||||
| 640 | L | 29.9 | Very low | 27.8 | Very low | 156 Ų | 156 | 124.4 Ų | 124.4 | 82% | 0.817 | 73% | 0.733 | S | S | * | * | -150.8 | 151.4 | 57.5 | -91.5 | 84.1 | 0 | 0 | 0 | 110 | |||||
| 641 | V | 29.4 | Very low | 27.8 | Very low | 101 Ų | 101 | 124.2 Ų | 124.2 | 61% | 0.612 | 74% | 0.738 | S | S | * | * | cis | 77 | 104.5 | 44 | 167.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 642 | T | 28.5 | Very low | 27.6 | Very low | 117 Ų | 117 | 120.7 Ų | 120.7 | 72% | 0.718 | 73% | 0.732 | S | S | * | * | cis | -141.3 | -167 | -15.2 | 49.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 643 | N | 27.3 | Very low | 27.6 | Very low | 130 Ų | 130 | 121.3 Ų | 121.3 | 70% | 0.695 | 73% | 0.726 | S | S | * | * | cis | -158.4 | 167.2 | 14.2 | -140.2 | 13.8 | 0 | 0 | 0 | 107.9 | ||||
| 644 | T | 27.1 | Very low | 27.7 | Very low | 107 Ų | 107 | 125.3 Ų | 125.3 | 66% | 0.656 | 73% | 0.731 | S | S | * | * | cis | -140.3 | -173.5 | 12.3 | -41.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 645 | V | 28.8 | Very low | 27.5 | Very low | 140 Ų | 140 | 120.9 Ų | 120.9 | 85% | 0.848 | 71% | 0.713 | S | S | * | * | trans | -61.1 | 142.3 | -174.9 | -178.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 646 | V | 30.5 | Very low | 27.3 | Very low | 118 Ų | 118 | 120.4 Ų | 120.4 | 72% | 0.715 | 71% | 0.711 | S | S | * | * | trans | -137.7 | 119.7 | -170.1 | 156.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 647 | T | 27.9 | Very low | 27.2 | Very low | 107 Ų | 107 | 115.5 Ų | 115.5 | 66% | 0.656 | 69% | 0.69 | S | S | * | * | 89.7 | 96 | 84.9 | -44.8 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 648 | T | 27.6 | Very low | 27.1 | Very low | 115 Ų | 115 | 119.3 Ų | 119.3 | 71% | 0.706 | 69% | 0.689 | S | S | * | * | trans | 71.6 | 157 | 141 | 66.6 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 649 | T | 26.6 | Very low | 27 | Very low | 135 Ų | 135 | 119 Ų | 119 | 83% | 0.828 | 68% | 0.681 | S | S | * | * | trans | 78.6 | 154 | 159.8 | 75.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 650 | S | 24.4 | Very low | 26.7 | Very low | 103 Ų | 103 | 119.2 Ų | 119.2 | 72% | 0.72 | 69% | 0.692 | S | S | * | * | cis | -160 | 153.7 | 5.5 | 54.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 651 | A | 23.2 | Very low | 26.6 | Very low | 98 Ų | 98 | 118 Ų | 118 | 81% | 0.81 | 69% | 0.69 | S | S | * | * | trans | 58.2 | 172.2 | 141.6 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 652 | S | 23.6 | Very low | 26.3 | Very low | 93 Ų | 93 | 119.4 Ų | 119.4 | 65% | 0.65 | 70% | 0.704 | S | S | * | * | cis | -167.2 | 135.9 | -47 | -159.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 653 | E | 25.8 | Very low | 25.9 | Very low | 140 Ų | 140 | 116.5 Ų | 116.5 | 65% | 0.654 | 70% | 0.697 | S | S | * | * | trans | 67.5 | 125.9 | 146.6 | -76.1 | 172.7 | 112.6 | 0 | 0 | 127.6 | ||||
| 654 | K | 28.6 | Very low | 25.8 | Very low | 178 Ų | 178 | 116.7 Ų | 116.7 | 77% | 0.774 | 70% | 0.703 | S | S | * | * | trans | 79.2 | 167.4 | 132.1 | -66 | 171.4 | 174.1 | 160.9 | 0 | 120.1 | ||||
| 655 | S | 24.7 | Very low | 25.6 | Very low | 59 Ų | 59 | 116.9 Ų | 116.9 | 41% | 0.413 | 70% | 0.704 | S | S | . | * | cis | -170.7 | 150.4 | 27.9 | 49 | 0 | 0 | 0 | 0 | 116.7 | C1195 V1196 | S655-C1195 CarbonylContact O-C 3.56Å; S655-C1195 VanDerWaalsContact O-CA 3.32Å; S655-C1195 WeakPolarHBondContact O-CA 3.42Å; S655-C1195 WeakPolarHBondContact O-CB 3.42Å; S655-C1195 PolarHBondContact O-SG 2.7Å; S655-V1196 PolarHBondContact O-N 2.77Å | ||
| 656 | L | 25.5 | Very low | 25.6 | Very low | 133 Ų | 133 | 118.6 Ų | 118.6 | 70% | 0.696 | 70% | 0.703 | S | S | * | * | B | Isolated β-bridge | 121.1 | 21.2 | 110.4 | -81.7 | 144.9 | 0 | 0 | 0 | 132.5 | C1195 V1196 | L656-C1195 PolarHBondContact N-SG 3.37Å; L656-V1196 VanDerWaalsContact C-N 3.32Å; L656-V1196 VanDerWaalsContact CA-CG2 3.49Å; L656-V1196 HydrophobicContact CB-CG2 3.85Å | |
| 657 | D | 25.7 | Very low | 25.3 | Very low | 78 Ų | 78 | 118.6 Ų | 118.6 | 42% | 0.417 | 70% | 0.699 | S | S | . | * | trans | 105.7 | 141 | 172.9 | 136.9 | -177.4 | 0 | 0 | 0 | 113.9 | I1194 C1195 | D657-I1194 VanDerWaalsContact C-C 3.4Å; D657-I1194 CarbonylContact C-O 3.22Å; D657-I1194 WeakPolarHBondContact CA-O 3.4Å; D657-I1194 WeakPolarHBondContact CB-O 2.99Å; D657-I1194 PolarHBondContact N-O 2.85Å; D657-I1194 CarbonylContact O-C 3.47Å; D657-C1195 VanDerWaalsContact N-CA 3.3Å; D657-C1195 CarbonylContact O-C 3.45Å; D657-C1195 VanDerWaalsContact O-CA 3.3Å; D657-C1195 WeakPolarHBondContact O-CA 3.39Å; D657-C1195 PolarHBondContact O-N 2.8Å | ||
| 658 | K | 26.7 | Very low | 25.5 | Very low | 143 Ų | 143 | 121.1 Ų | 121.1 | 62% | 0.622 | 70% | 0.701 | S | S | * | * | cis | -159.4 | -149.1 | 5.4 | -146.8 | 170.8 | -148.1 | 68.9 | 0 | 114 | I1194 | K658-I1194 PolarHBondContact N-O 3.32Š| ||
| 659 | I | 26.4 | Very low | 25.2 | Very low | 131 Ų | 131 | 121.6 Ų | 121.6 | 67% | 0.672 | 71% | 0.709 | S | S | * | * | trans | -124.9 | 157.1 | -154.7 | -61.7 | 153.3 | 0 | 0 | 0 | 116.2 | ||||
| 660 | S | 21.8 | Very low | 25.2 | Very low | 122 Ų | 122 | 118.4 Ų | 118.4 | 85% | 0.853 | 70% | 0.702 | S | S | * | * | trans | -162.9 | 168 | 152.7 | -161.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 661 | V | 27.6 | Very low | 25.2 | Very low | 129 Ų | 129 | 120.2 Ų | 120.2 | 78% | 0.782 | 71% | 0.709 | S | S | * | * | trans | -141.6 | 154.5 | -162.7 | -177.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 662 | C | 23.1 | Very low | 25.3 | Very low | 132 Ų | 132 | 122.9 Ų | 122.9 | 89% | 0.892 | 71% | 0.705 | S | S | * | * | trans | 108.6 | 130.8 | 149.8 | -157.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 663 | G | 21.8 | Very low | 25.3 | Very low | 56 Ų | 56 | 125.8 Ų | 125.8 | 58% | 0.577 | 71% | 0.706 | S | S | * | * | trans | 152.7 | 112.1 | 158.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 664 | T | 23.5 | Very low | 25.3 | Very low | 133 Ų | 133 | 125.5 Ų | 125.5 | 82% | 0.816 | 71% | 0.714 | S | S | * | * | trans | 45.3 | 143.4 | 131.6 | 57.7 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 665 | T | 24.4 | Very low | 25.1 | Very low | 111 Ų | 111 | 121.9 Ų | 121.9 | 68% | 0.681 | 71% | 0.711 | S | S | * | * | cis | -177 | 159.6 | 7.9 | 17.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 666 | E | 27.6 | Very low | 25 | Very low | 177 Ų | 177 | 126.9 Ų | 126.9 | 83% | 0.827 | 73% | 0.732 | S | S | * | * | trans | 66.2 | 152.3 | 147.3 | -72.8 | -177.3 | 179.5 | 0 | 0 | 121.8 | ||||
| 667 | D | 25.4 | Very low | 25.1 | Very low | 118 Ų | 118 | 128.4 Ų | 128.4 | 63% | 0.631 | 73% | 0.733 | S | S | * | * | cis | -174.2 | 170 | -17.6 | -171.6 | 18.3 | 0 | 0 | 0 | 113.6 | ||||
| 668 | K | 30.8 | Very low | 25.4 | Very low | 160 Ų | 160 | 132.6 Ų | 132.6 | 70% | 0.696 | 75% | 0.75 | S | S | * | * | trans | 89.4 | 122 | 152.3 | -84.4 | 166.1 | -171 | 78.9 | 0 | 126.6 | ||||
| 669 | S | 23 | Very low | 25.3 | Very low | 125 Ų | 125 | 131.2 Ų | 131.2 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | trans | 67.6 | 157.8 | 144.6 | 66.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 670 | G | 24.6 | Very low | 25.4 | Very low | 67 Ų | 67 | 134.1 Ų | 134.1 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | cis | 142.9 | 154.6 | -6.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 671 | T | 25.9 | Very low | 25.5 | Very low | 142 Ų | 142 | 131.6 Ų | 131.6 | 87% | 0.871 | 76% | 0.762 | S | S | * | * | cis | -170.7 | 160.6 | -10.2 | -54.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 672 | E | 24.3 | Very low | 25.5 | Very low | 153 Ų | 153 | 135.4 Ų | 135.4 | 72% | 0.715 | 77% | 0.768 | S | S | * | * | trans | 95.9 | 132.3 | 150.8 | -141.8 | -159.6 | -179.4 | 0 | 0 | 124 | ||||
| 673 | K | 24.8 | Very low | 25.5 | Very low | 155 Ų | 155 | 137.6 Ų | 137.6 | 67% | 0.674 | 77% | 0.765 | S | S | * | * | trans | 123.3 | 109.7 | 139.8 | -73.3 | -159.8 | 169.6 | 71.5 | 0 | 122.8 | ||||
| 674 | T | 24.2 | Very low | 25.5 | Very low | 133 Ų | 133 | 141.4 Ų | 141.4 | 82% | 0.816 | 77% | 0.772 | S | S | * | * | trans | 44.5 | 150.5 | 132.8 | 50.9 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 675 | S | 25.6 | Very low | 25.5 | Very low | 103 Ų | 103 | 140.6 Ų | 140.6 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | cis | -176.7 | -178.6 | -7.7 | -175.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 676 | I | 23.2 | Very low | 25.4 | Very low | 164 Ų | 164 | 145 Ų | 145 | 84% | 0.841 | 78% | 0.777 | S | S | * | * | trans | 90.9 | 144.4 | 164.6 | -52.8 | 172.7 | 0 | 0 | 0 | 118.1 | ||||
| 677 | K | 27.1 | Very low | 25.1 | Very low | 165 Ų | 165 | 141.6 Ų | 141.6 | 72% | 0.717 | 78% | 0.779 | S | S | * | * | -179.8 | 121.8 | -61.9 | 171.3 | 180 | 174.5 | -175.9 | 0 | 114.5 | |||||
| 678 | Q | 30.8 | Very low | 24.9 | Very low | 166 Ų | 166 | 140.1 Ų | 140.1 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | 64.3 | 163.2 | 156.1 | -70.5 | 174.8 | -26.9 | 0 | 0 | 119.7 | ||||
| 679 | S | 24.6 | Very low | 24.5 | Very low | 114 Ų | 114 | 140.2 Ų | 140.2 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | cis | -144.4 | -172 | 20.8 | 62.5 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 680 | E | 29.1 | Very low | 24.6 | Very low | 191 Ų | 191 | 138.3 Ų | 138.3 | 89% | 0.893 | 78% | 0.783 | S | S | * | * | trans | -95.8 | 175.9 | -164.9 | -56.8 | 159.5 | 106.5 | 0 | 0 | 115.4 | ||||
| 681 | G | 24.7 | Very low | 24.5 | Very low | 69 Ų | 69 | 140 Ų | 140 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | cis | 161.9 | 170.3 | -8.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 682 | K | 26.5 | Very low | 24.4 | Very low | 210 Ų | 210 | 140.1 Ų | 140.1 | 91% | 0.913 | 78% | 0.779 | S | S | * | * | trans | 60.2 | 139.5 | 168.9 | -72.5 | 174.9 | 175.6 | 169.1 | 0 | 119 | ||||
| 683 | Q | 24.2 | Very low | 24.4 | Very low | 177 Ų | 177 | 140.3 Ų | 140.3 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | -176.9 | 160.1 | 56.4 | -145.7 | 176.9 | 12 | 0 | 0 | 115.4 | |||||
| 684 | N | 21.5 | Very low | 24.4 | Very low | 137 Ų | 137 | 139.2 Ų | 139.2 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | trans | 13.6 | 127.5 | 156.8 | -76 | 21.1 | 0 | 0 | 0 | 127.7 | ||||
| 685 | T | 22.5 | Very low | 24.3 | Very low | 116 Ų | 116 | 140.1 Ų | 140.1 | 71% | 0.712 | 78% | 0.779 | S | S | * | * | 57 | 129.1 | 115.1 | -21.7 | 0 | 0 | 0 | 0 | 125.7 | |||||
| 686 | K | 22.4 | Very low | 24.2 | Very low | 204 Ų | 204 | 139.8 Ų | 139.8 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | trans | 89.4 | 155.3 | 139.8 | -117.1 | 180 | -178 | -176.6 | 0 | 122.3 | ||||
| 687 | A | 21.5 | Very low | 24.3 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 87% | 0.868 | 77% | 0.77 | S | S | * | * | trans | 91.7 | 168.6 | 164.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 688 | A | 22.3 | Very low | 24 | Very low | 86 Ų | 86 | 135.6 Ų | 135.6 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | trans | -146.7 | -179.7 | -156.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 689 | D | 22.5 | Very low | 23.5 | Very low | 163 Ų | 163 | 133.1 Ų | 133.1 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | trans | 81.3 | 148.1 | 158.3 | -70.9 | -43.2 | 0 | 0 | 0 | 122.7 | ||||
| 690 | A | 23.8 | Very low | 23.4 | Very low | 85 Ų | 85 | 134.8 Ų | 134.8 | 70% | 0.702 | 79% | 0.788 | S | S | * | * | trans | 82.5 | 96 | 146.1 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 691 | S | 23.2 | Very low | 23.2 | Very low | 101 Ų | 101 | 131.1 Ų | 131.1 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | 89.6 | 158.6 | 107.8 | -60.2 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 692 | D | 24.3 | Very low | 23.1 | Very low | 145 Ų | 145 | 133.2 Ų | 133.2 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | trans | 77.5 | 139.2 | 157.4 | -57.7 | -24.8 | 0 | 0 | 0 | 118.6 | ||||
| 693 | E | 24.5 | Very low | 23 | Very low | 158 Ų | 158 | 129.2 Ų | 129.2 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | cis | -159.6 | -179.4 | 3.3 | -137.2 | -166.5 | 170.3 | 0 | 0 | 114.5 | ||||
| 694 | I | 23.8 | Very low | 23.2 | Very low | 132 Ų | 132 | 130.9 Ų | 130.9 | 68% | 0.677 | 79% | 0.785 | S | S | * | * | trans | 78.7 | 96.5 | 152.1 | -68.3 | 154.3 | 0 | 0 | 0 | 120.4 | ||||
| 695 | L | 22.7 | Very low | 23.4 | Very low | 151 Ų | 151 | 128.6 Ų | 128.6 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | 22.4 | 153.9 | 108.1 | -60.3 | 170.2 | 0 | 0 | 0 | 118.8 | |||||
| 696 | S | 23.8 | Very low | 23.5 | Very low | 97 Ų | 97 | 130.1 Ų | 130.1 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | cis | -178.8 | -178.7 | -1.4 | -112.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 697 | S | 23.9 | Very low | 23.8 | Very low | 98 Ų | 98 | 129.1 Ų | 129.1 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | cis | 175.5 | 134.1 | -45.5 | 58.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 698 | C | 20.9 | Very low | 24 | Very low | 143 Ų | 143 | 129.1 Ų | 129.1 | 97% | 0.966 | 79% | 0.788 | S | S | * | * | trans | -146.4 | 144.8 | 177.6 | -96.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 699 | S | 20.8 | Very low | 24.2 | Very low | 114 Ų | 114 | 134.1 Ų | 134.1 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | -151.2 | 151.8 | 177.1 | 57.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 700 | V | 22.9 | Very low | 24.4 | Very low | 148 Ų | 148 | 134 Ų | 134 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | trans | -141.4 | 160.6 | 175.8 | -174.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 701 | T | 24.1 | Very low | 24.5 | Very low | 114 Ų | 114 | 138.7 Ų | 138.7 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | trans | -122.3 | 139.5 | -145.4 | 54.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 702 | S | 24.2 | Very low | 24.6 | Very low | 114 Ų | 114 | 141 Ų | 141 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | 56.2 | 130.1 | 137 | 69.1 | 0 | 0 | 0 | 0 | 123 | ||||
| 703 | S | 23.9 | Very low | 24.6 | Very low | 125 Ų | 125 | 138.2 Ų | 138.2 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | -149.1 | 157.5 | 145.7 | 53.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 704 | K | 26.8 | Very low | 24.6 | Very low | 212 Ų | 212 | 139.9 Ų | 139.9 | 92% | 0.922 | 81% | 0.807 | S | S | * | * | trans | -116.1 | 149 | -178.5 | -61.8 | 178.2 | 177.9 | -180 | 0 | 111.6 | ||||
| 705 | A | 26.6 | Very low | 24.6 | Very low | 89 Ų | 89 | 141.2 Ų | 141.2 | 74% | 0.736 | 81% | 0.813 | S | S | * | * | trans | -175.9 | 140.3 | 131.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 706 | D | 23.6 | Very low | 24.6 | Very low | 149 Ų | 149 | 139.3 Ų | 139.3 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | trans | 62.2 | 172.4 | 150 | -70.1 | -49.3 | 0 | 0 | 0 | 124.1 | ||||
| 707 | Q | 29.2 | Very low | 24.9 | Very low | 182 Ų | 182 | 144.6 Ų | 144.6 | 85% | 0.85 | 82% | 0.824 | S | S | * | * | trans | -133.4 | 143.5 | -144.4 | -57.3 | 162.5 | 64.2 | 0 | 0 | 112.9 | ||||
| 708 | A | 27.1 | Very low | 24.8 | Very low | 105 Ų | 105 | 143.4 Ų | 143.4 | 87% | 0.868 | 83% | 0.827 | S | S | * | * | trans | -155.7 | 157.1 | 148.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 709 | K | 26.5 | Very low | 25 | Very low | 192 Ų | 192 | 142.3 Ų | 142.3 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | trans | -83.9 | 143.6 | 171.1 | -76.4 | -177.9 | 177.1 | 179.4 | 0 | 110 | ||||
| 710 | D | 24.9 | Very low | 25.5 | Very low | 159 Ų | 159 | 147.8 Ų | 147.8 | 85% | 0.85 | 82% | 0.819 | S | S | * | * | -159.3 | 162.3 | 87.3 | -104.6 | -30.1 | 0 | 0 | 0 | 112.9 | |||||
| 711 | K | 26.3 | Very low | 25.5 | Very low | 184 Ų | 184 | 148.4 Ų | 148.4 | 80% | 0.8 | 82% | 0.818 | S | S | * | * | trans | -121 | 110.5 | -177.7 | -75.9 | -167.9 | 175.1 | -167.7 | 0 | 111.2 | ||||
| 712 | V | 25.7 | Very low | 25.8 | Very low | 149 Ų | 149 | 146.4 Ų | 146.4 | 90% | 0.903 | 81% | 0.808 | S | S | * | * | trans | -106.8 | 117.9 | 144.3 | 177.2 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 713 | S | 23.6 | Very low | 26.1 | Very low | 88 Ų | 88 | 148.2 Ų | 148.2 | 62% | 0.615 | 81% | 0.808 | S | S | * | * | trans | -103.3 | 114.7 | -179.1 | -68.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 714 | E | 24.8 | Very low | 26.7 | Very low | 193 Ų | 193 | 149 Ų | 149 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | -53.8 | 148.1 | 160.6 | -58.4 | 161.3 | 132.2 | 0 | 0 | 109.7 | ||||
| 715 | I | 23.8 | Very low | 27.5 | Very low | 159 Ų | 159 | 144.9 Ų | 144.9 | 82% | 0.815 | 79% | 0.791 | S | S | * | * | trans | -125 | 107.7 | 172.2 | -60.8 | -178.9 | 0 | 0 | 0 | 108 | ||||
| 716 | S | 24.4 | Very low | 28.7 | Very low | 112 Ų | 112 | 148.2 Ų | 148.2 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | trans | -78.8 | 153.3 | 173.7 | 55 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 717 | F | 29 | Very low | 30.8 | Very low | 208 Ų | 208 | 142.7 Ų | 142.7 | 91% | 0.912 | 76% | 0.764 | S | S | * | * | trans | -69.5 | 163.6 | -170.5 | -67.7 | -97.9 | 0 | 0 | 0 | 116.5 | ||||
| 718 | G | 22.4 | Very low | 33.4 | Very low | 73 Ų | 73 | 137.3 Ų | 137.3 | 75% | 0.753 | 74% | 0.74 | S | S | * | * | trans | -159.5 | 80.1 | 161.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 719 | T | 24.9 | Very low | 36.3 | Very low | 120 Ų | 120 | 134.8 Ų | 134.8 | 74% | 0.736 | 71% | 0.709 | S | S | * | * | 88.8 | 110.1 | 82.5 | -66.1 | 0 | 0 | 0 | 0 | 113 | |||||
| 720 | R | 31.3 | Very low | 39.1 | Very low | 229 Ų | 229 | 130.8 Ų | 130.8 | 86% | 0.864 | 69% | 0.693 | S | S | * | * | S | Bend | trans | 61.3 | 117.2 | 172.5 | -68.4 | 179 | 172.6 | -178.3 | -5.1 | 115.7 | ||
| 721 | D | 23.6 | Very low | 42.1 | Very low | 161 Ų | 161 | 123.4 Ų | 123.4 | 86% | 0.861 | 65% | 0.654 | S | S | * | * | cis | -128.1 | 115 | 16.8 | -65 | -42.5 | 0 | 0 | 0 | 111.4 | ||||
| 722 | S | 29.8 | Very low | 44.8 | Very low | 71 Ų | 71 | 118.6 Ų | 118.6 | 50% | 0.497 | 64% | 0.641 | S | S | . | * | trans | -144 | 117.7 | 168.6 | -178.6 | 0 | 0 | 0 | 0 | 107.5 | D725 | S722-D725 PolarHBondContact OG-OD2 3.38Š| ||
| 723 | L | 30.6 | Very low | 47.6 | Very low | 152 Ų | 152 | 115.6 Ų | 115.6 | 80% | 0.796 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -146.5 | -27.5 | -177.5 | -144.2 | 151.3 | 0 | 0 | 0 | 110.8 | ||
| 724 | D | 36.1 | Very low | 50.6 | Low | 142 Ų | 142 | 112.9 Ų | 112.9 | 76% | 0.759 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -77.1 | -31.2 | 172.4 | -69.5 | -65.4 | 0 | 0 | 0 | 114.3 | H726 S727 | D724-H726 VanDerWaalsContact C-N 3.32Å; D724-H726 PolarHBondContact O-N 2.7Å; D724-S727 PolarHBondContact O-N 3.44Å; D724-S727 PolarHBondContact O-OG 2.78Å |
| 725 | D | 42.9 | Very low | 53.6 | Low | 126 Ų | 126 | 107.5 Ų | 107.5 | 67% | 0.674 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -69.7 | -20.9 | -170.8 | -72.2 | -45.6 | 0 | 0 | 0 | 114.6 | S722 S727 | S722-D725 PolarHBondContact OG-OD2 3.38Å; D725-S727 VanDerWaalsContact C-N 3.31Å; D725-S727 PolarHBondContact O-N 3.46Å |
| 726 | H | 52.2 | Low | 56.5 | Low | 159 Ų | 159 | 100 Ų | 100 | 74% | 0.736 | 54% | 0.535 | S | S | * | . | G | 310 helix | trans | -79.2 | -12.4 | -178.1 | -77.4 | -74 | 0 | 0 | 0 | 114.1 | D724 | D724-H726 VanDerWaalsContact C-N 3.32Å; D724-H726 PolarHBondContact O-N 2.7Å |
| 727 | S | 68.9 | Low | 59.2 | Low | 32 Ų | 32 | 96.3 Ų | 96.3 | 22% | 0.224 | 51% | 0.509 | C | S | . | . | G | 310 helix | trans | -92 | -15 | -176.3 | 67.4 | 0 | 0 | 0 | 0 | 114.4 | E355 L356 D724 D725 | E355-S727 CarbonylContact C-O 3.58Å; E355-S727 WeakPolarHBondContact CA-O 3.06Å; L356-S727 PolarHBondContact N-O 2.71Å; D724-S727 PolarHBondContact O-N 3.44Å; D724-S727 PolarHBondContact O-OG 2.78Å; D725-S727 VanDerWaalsContact C-N 3.31Å; D725-S727 PolarHBondContact O-N 3.46Å |
| 728 | L | 82.6 | Confident | 61.3 | Low | 70 Ų | 70 | 92.9 Ų | 92.9 | 37% | 0.366 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 129.1 | -171 | 175.9 | 65 | 0 | 0 | 0 | 111.9 | L354 E355 | L354-L728 WeakPolarHBondContact O-CA 3.3Å; E355-L728 HydrophobicContact CB-CD1 3.93Å; E355-L728 HydrophobicContact CG-CD1 4.29Å |
| 729 | W | 87.4 | Confident | 64 | Low | 52 Ų | 52 | 91 Ų | 91 | 20% | 0.197 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 147.3 | 174 | 175.9 | 91.8 | 0 | 0 | 0 | 111.5 | L332 T353 L354 A746 V748 F750 | L332-W729 HydrophobicContact CD2-CZ3 4.48Å; T353-W729 CarbonylContact C-O 3.51Å; T353-W729 VanDerWaalsContact CA-O 3.3Å; T353-W729 WeakPolarHBondContact CA-O 3.42Å; L354-W729 HydrophobicContact CB-CE3 4.06Å; L354-W729 HydrophobicContact CD1-CD2 4.47Å; L354-W729 HydrophobicContact CD1-CE3 3.55Å; L354-W729 HydrophobicContact CD1-CZ3 3.67Å; L354-W729 HydrophobicContact CG-CE3 3.71Å; L354-W729 HydrophobicContact CG-CZ3 3.97Å; L354-W729 PolarHBondContact N-O 3.28Å; L354-W729 PolarHBondContact O-N 2.78Å; W729-A746 HydrophobicContact CH2-CB 4.1Å; W729-A746 HydrophobicContact CZ2-CB 4.42Å; W729-V748 HydrophobicContact CB-CB 4.34Å; W729-V748 HydrophobicContact CB-CG1 4.32Å; W729-V748 HydrophobicContact CB-CG2 4Å; W729-V748 HydrophobicContact CD2-CB 4.01Å; W729-V748 HydrophobicContact CD2-CG1 4.01Å; W729-V748 HydrophobicContact CE3-CG1 4.37Å; W729-V748 HydrophobicContact CG-CB 3.77Å; W729-V748 HydrophobicContact CG-CG1 4.01Å; W729-V748 HydrophobicContact CG-CG2 3.82Å; W729-F750 HydrophobicContact CB-CE1 4.22Å; W729-F750 HydrophobicContact CB-CZ 3.9Å |
| 730 | E | 86.3 | Confident | 66.8 | Low | 108 Ų | 108 | 87.4 Ų | 87.4 | 51% | 0.505 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 131.7 | 178.2 | -172.1 | 174 | 141.8 | 0 | 0 | 110.4 | H351 C352 T353 | H351-E730 IonicContact CD2-OE1 3.93Å; H351-E730 IonicContact NE2-OE1 2.76Å; C352-E730 WeakPolarHBondContact O-CA 3.14Å; T353-E730 HydrophobicContact CG2-CB 4.32Å; T353-E730 HydrophobicContact CG2-CG 4.03Å |
| 731 | S | 87.4 | Confident | 69.4 | Low | 4 Ų | 4 | 76.6 Ų | 76.6 | 3% | 0.028 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -76 | 152.1 | 178.1 | 76 | 0 | 0 | 0 | 0 | 111.5 | C352 W743 | C352-S731 PolarHBondContact N-OG 2.87Å; C352-S731 PolarHBondContact O-N 2.9Å; C352-S731 PolarHBondContact O-OG 2.98Å; S731-W743 PolarHBondContact OG-NE1 2.87Å |
| 732 | P | 83.3 | Confident | 72.5 | Confident | 82 Ų | 82 | 72.5 Ų | 72.5 | 53% | 0.532 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -57 | 148.3 | 165.2 | 27.1 | -34.9 | 0 | 0 | 0 | 111.6 | T734 W743 | P732-T734 PolarHBondContact O-N 2.92Å; P732-W743 PolarHBondContact O-NE1 2.9Å |
| 733 | E | 84.9 | Confident | 75.3 | Confident | 86 Ų | 86 | 70.1 Ų | 70.1 | 40% | 0.402 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 129 | 174.5 | -62.6 | -170.6 | 146.8 | 0 | 0 | 110.8 | Y349 V350 H351 K766 | Y349-E733 HydrophobicContact CD1-CB 4.35Å; V350-E733 WeakPolarHBondContact O-CA 3.48Å; H351-E733 HydrophobicContact CB-CG 4.37Å; E733-K766 WeakPolarHBondContact OE1-CE 3.41Å; E733-K766 IonicContact OE1-NZ 2.83Å; E733-K766 PolarHBondContact OE1-NZ 3.27Å; E733-K766 IonicContact OE2-NZ 3.36Å; E733-K766 PolarHBondContact OE2-NZ 3.47Å |
| 734 | T | 86.8 | Confident | 77.5 | Confident | 31 Ų | 31 | 68 Ų | 68 | 19% | 0.19 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 162.3 | 173.8 | -169.9 | 0 | 0 | 0 | 0 | 110.2 | Y349 V350 P732 A741 C742 W743 | Y349-T734 CarbonylContact C-O 3.59Å; Y349-T734 WeakPolarHBondContact CA-O 3.22Å; V350-T734 HydrophobicContact CG2-CG2 3.73Å; V350-T734 PolarHBondContact N-O 3.44Å; V350-T734 PolarHBondContact O-N 2.96Å; P732-T734 PolarHBondContact O-N 2.92Å; T734-A741 HydrophobicContact CG2-CB 3.76Å; T734-C742 PolarHBondContact OG1-O 2.8Å; T734-W743 HydrophobicContact CG2-CD2 3.8Å; T734-W743 HydrophobicContact CG2-CE3 4.27Å; T734-W743 HydrophobicContact CG2-CG 4.38Å; T734-W743 HydrophobicContact CG2-CH2 3.94Å; T734-W743 HydrophobicContact CG2-CZ2 3.41Å; T734-W743 VanDerWaalsContact CG2-CZ2 3.41Å; T734-W743 HydrophobicContact CG2-CZ3 4.33Å |
| 735 | I | 86.2 | Confident | 79.2 | Confident | 80 Ų | 80 | 70.9 Ų | 70.9 | 41% | 0.41 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 117.5 | 178.1 | -60.3 | 174.4 | 0 | 0 | 0 | 108.8 | Y349 | Y349-I735 HydrophobicContact CD1-CG1 3.95Å; Y349-I735 HydrophobicContact CE1-CD1 4.01Å; Y349-I735 HydrophobicContact CE1-CG1 3.48Å; Y349-I735 VanDerWaalsContact CE1-CG1 3.48Å; Y349-I735 HydrophobicContact CE2-CG1 4.45Å |
| 736 | F | 85.8 | Confident | 81.3 | Confident | 1 Ų | 1 | 65.2 Ų | 65.2 | 0% | 0.004 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 122.6 | 162.7 | -174.6 | -90.9 | 0 | 0 | 0 | 108.9 | L338 I340 E347 T348 V350 H739 T740 A741 | L338-F736 HydrophobicContact CB-CD2 4.44Å; L338-F736 HydrophobicContact CB-CE1 4.42Å; L338-F736 HydrophobicContact CB-CE2 3.86Å; L338-F736 HydrophobicContact CB-CZ 3.83Å; L338-F736 HydrophobicContact CD1-CD2 3.72Å; L338-F736 HydrophobicContact CD1-CE2 3.84Å; L338-F736 HydrophobicContact CD1-CG 4.37Å; L338-F736 HydrophobicContact CG-CD2 4.02Å; L338-F736 HydrophobicContact CG-CE2 3.59Å; L338-F736 HydrophobicContact CG-CZ 4.1Å; I340-F736 HydrophobicContact CD1-CB 4.45Å; I340-F736 HydrophobicContact CD1-CD1 3.31Å; I340-F736 HydrophobicContact CD1-CE1 3.6Å; I340-F736 HydrophobicContact CD1-CG 3.95Å; I340-F736 HydrophobicContact CD1-CZ 4.43Å; E347-F736 WeakPolarHBondContact CA-O 3.48Å; T348-F736 PolarHBondContact N-O 3.48Å; T348-F736 PolarHBondContact O-N 3.09Å; V350-F736 HydrophobicContact CG1-CB 3.94Å; V350-F736 HydrophobicContact CG2-CB 4.08Å; F736-H739 VanDerWaalsContact CE2-C 3.47Å; F736-H739 WeakPolarHBondContact CE2-O 3.28Å; F736-H739 VanDerWaalsContact CZ-O 3.31Å; F736-H739 WeakPolarHBondContact CZ-O 3.43Å; F736-T740 CarbonylContact C-O 3.51Å; F736-T740 WeakPolarHBondContact CA-O 3.35Å; F736-T740 VanDerWaalsContact CD2-C 3.4Å; F736-T740 WeakPolarHBondContact CD2-O 3.37Å; F736-A741 HydrophobicContact CB-CB 4.1Å; F736-A741 HydrophobicContact CD2-CB 3.98Å |
| 737 | S | 79.7 | Confident | 83.1 | Confident | 35 Ų | 35 | 60.3 Ų | 60.3 | 25% | 0.245 | 32% | 0.324 | C | S | . | . | B | Isolated β-bridge | trans | -153.5 | 158.8 | 177.2 | 66.9 | 0 | 0 | 0 | 0 | 109.4 | H739 T740 | S737-H739 PolarHBondContact O-N 2.98Å; S737-H739 VanDerWaalsContact O-N 3.12Å; S737-T740 PolarHBondContact N-O 3.47Å; S737-T740 PolarHBondContact O-N 3.36Å |
| 738 | K | 73.1 | Confident | 84.1 | Confident | 136 Ų | 136 | 59.8 Ų | 59.8 | 59% | 0.591 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | 44.7 | -178.6 | -50.3 | 177.3 | -167.9 | 174.9 | 0 | 113 | E187 T740 | E187-K738 HydrophobicContact CG-CD 4.14Å; E187-K738 VanDerWaalsContact OE1-CD 3.31Å; E187-K738 WeakPolarHBondContact OE1-CD 3.27Å; E187-K738 WeakPolarHBondContact OE1-CE 3.26Å; E187-K738 IonicContact OE1-NZ 3.42Å; E187-K738 PolarHBondContact OE1-NZ 2.94Å; K738-T740 PolarHBondContact O-N 3.43Å |
| 739 | H | 79.8 | Confident | 84.6 | Confident | 35 Ų | 35 | 59 Ų | 59 | 16% | 0.162 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 10.5 | -179.2 | -48.5 | -51.5 | 0 | 0 | 0 | 117 | E192 S336 R337 Y344 D345 F736 S737 | E192-H739 IonicContact OE1-CD2 3.67Å; E192-H739 PolarHBondContact OE1-CD2 2.87Å; E192-H739 IonicContact OE2-CD2 3.15Å; S336-H739 WeakPolarHBondContact CA-O 3.14Å; R337-H739 PolarHBondContact N-O 3.11Å; Y344-H739 PolarHBondContact O-CE1 3.16Å; Y344-H739 PolarHBondContact O-ND1 3.08Å; D345-H739 IonicContact OD1-CE1 2.69Å; F736-H739 VanDerWaalsContact CE2-C 3.47Å; F736-H739 WeakPolarHBondContact CE2-O 3.28Å; F736-H739 VanDerWaalsContact CZ-O 3.31Å; F736-H739 WeakPolarHBondContact CZ-O 3.43Å; S737-H739 PolarHBondContact O-N 2.98Å; S737-H739 VanDerWaalsContact O-N 3.12Å |
| 740 | T | 84.4 | Confident | 84.7 | Confident | 43 Ų | 43 | 56.8 Ų | 56.8 | 26% | 0.264 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 162.7 | 180 | 56.9 | 0 | 0 | 0 | 0 | 112.8 | C335 F736 S737 K738 | C335-T740 CarbonylContact O-C 3.56Å; C335-T740 VanDerWaalsContact O-CA 3.32Å; C335-T740 WeakPolarHBondContact O-CA 3.4Å; F736-T740 CarbonylContact C-O 3.51Å; F736-T740 WeakPolarHBondContact CA-O 3.35Å; F736-T740 VanDerWaalsContact CD2-C 3.4Å; F736-T740 WeakPolarHBondContact CD2-O 3.37Å; S737-T740 PolarHBondContact N-O 3.47Å; S737-T740 PolarHBondContact O-N 3.36Å; K738-T740 PolarHBondContact O-N 3.43Å |
| 741 | A | 86.3 | Confident | 84.8 | Confident | 2 Ų | 2 | 57.6 Ų | 57.6 | 2% | 0.017 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 144.7 | 158.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | E334 C335 V350 T734 F736 W743 | E334-A741 CarbonylContact C-O 3.6Å; E334-A741 WeakPolarHBondContact CA-O 3.17Å; E334-A741 WeakPolarHBondContact CB-O 3.25Å; C335-A741 PolarHBondContact N-O 3.3Å; C335-A741 PolarHBondContact O-N 2.87Å; V350-A741 HydrophobicContact CG2-CB 3.95Å; T734-A741 HydrophobicContact CG2-CB 3.76Å; F736-A741 HydrophobicContact CB-CB 4.1Å; F736-A741 HydrophobicContact CD2-CB 3.98Å; A741-W743 HydrophobicContact CB-CZ3 4.4Å |
| 742 | C | 87.6 | Confident | 84.8 | Confident | 76 Ų | 76 | 57.7 Ų | 57.7 | 51% | 0.514 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 152.8 | 175.7 | -67.1 | 0 | 0 | 0 | 0 | 110.6 | I333 T734 | I333-C742 WeakPolarHBondContact O-CA 3.33Å; T734-C742 PolarHBondContact OG1-O 2.8Å |
| 743 | W | 88.2 | Confident | 84.9 | Confident | 20 Ų | 20 | 59 Ų | 59 | 8% | 0.076 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 126.5 | 172.7 | -75.7 | -95.2 | 0 | 0 | 0 | 110.4 | L332 I333 C335 V350 C352 S731 P732 T734 A741 A746 L763 | L332-W743 HydrophobicContact CD1-CD2 4.45Å; L332-W743 HydrophobicContact CD1-CE3 3.94Å; L332-W743 HydrophobicContact CD1-CZ3 4.01Å; L332-W743 HydrophobicContact CD2-CD2 3.46Å; L332-W743 VanDerWaalsContact CD2-CD2 3.46Å; L332-W743 HydrophobicContact CD2-CE3 3.79Å; L332-W743 HydrophobicContact CD2-CG 3.85Å; L332-W743 HydrophobicContact CD2-CH2 4.19Å; L332-W743 HydrophobicContact CD2-CZ2 3.89Å; L332-W743 HydrophobicContact CD2-CZ3 4.15Å; L332-W743 HydrophobicContact CG-CB 4.35Å; L332-W743 HydrophobicContact CG-CD2 3.69Å; L332-W743 HydrophobicContact CG-CE3 3.63Å; L332-W743 HydrophobicContact CG-CG 4.03Å; L332-W743 HydrophobicContact CG-CZ3 4.15Å; I333-W743 PolarHBondContact O-N 3.5Å; C335-W743 HydrophobicContact CB-CH2 4.34Å; C335-W743 HydrophobicContact CB-CZ3 4.03Å; V350-W743 HydrophobicContact CG2-CH2 4.11Å; V350-W743 HydrophobicContact CG2-CZ2 4.17Å; C352-W743 HydrophobicContact CB-CZ2 4.42Å; S731-W743 PolarHBondContact OG-NE1 2.87Å; P732-W743 PolarHBondContact O-NE1 2.9Å; T734-W743 HydrophobicContact CG2-CD2 3.8Å; T734-W743 HydrophobicContact CG2-CE3 4.27Å; T734-W743 HydrophobicContact CG2-CG 4.38Å; T734-W743 HydrophobicContact CG2-CH2 3.94Å; T734-W743 HydrophobicContact CG2-CZ2 3.41Å; T734-W743 VanDerWaalsContact CG2-CZ2 3.41Å; T734-W743 HydrophobicContact CG2-CZ3 4.33Å; A741-W743 HydrophobicContact CB-CZ3 4.4Å; W743-A746 HydrophobicContact CB-CB 3.61Å; W743-A746 HydrophobicContact CG-CB 4.09Å; W743-L763 HydrophobicContact CH2-CD2 4.13Å |
| 744 | S | 78.3 | Confident | 84.6 | Confident | 109 Ų | 109 | 58.7 Ų | 58.7 | 76% | 0.762 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 126.3 | 170.4 | 53.3 | 0 | 0 | 0 | 0 | 109.8 | A746 | S744-A746 VanDerWaalsContact C-N 3.31Å; S744-A746 PolarHBondContact O-N 3.26Å |
| 745 | K | 71.1 | Confident | 84.3 | Confident | 202 Ų | 202 | 61.8 Ų | 61.8 | 88% | 0.878 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 60.3 | 29.8 | 174 | -49.7 | -175.2 | -179.8 | -171.3 | 0 | 115.4 | S747 | K745-S747 PolarHBondContact O-N 2.85Å |
| 746 | A | 87.4 | Confident | 84.3 | Confident | 6 Ų | 6 | 58.7 Ų | 58.7 | 5% | 0.05 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 79.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L332 W729 W743 S744 | L332-A746 HydrophobicContact CB-CB 4.24Å; L332-A746 PolarHBondContact N-O 3.33Å; W729-A746 HydrophobicContact CH2-CB 4.1Å; W729-A746 HydrophobicContact CZ2-CB 4.42Å; W743-A746 HydrophobicContact CB-CB 3.61Å; W743-A746 HydrophobicContact CG-CB 4.09Å; S744-A746 VanDerWaalsContact C-N 3.31Å; S744-A746 PolarHBondContact O-N 3.26Å |
| 747 | S | 88.8 | Confident | 84.3 | Confident | 56 Ų | 56 | 61.1 Ų | 61.1 | 39% | 0.392 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 141.2 | 177.1 | 63.1 | 0 | 0 | 0 | 0 | 112.4 | V330 T331 K745 | V330-S747 CarbonylContact O-C 3.59Å; V330-S747 WeakPolarHBondContact O-CA 3.5Å; T331-S747 WeakPolarHBondContact OG1-CB 3.29Å; K745-S747 PolarHBondContact O-N 2.85Å |
| 748 | V | 91.3 | Very high | 84.7 | Confident | 22 Ų | 22 | 61.9 Ų | 61.9 | 13% | 0.133 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 151.6 | 172.2 | 58.9 | 0 | 0 | 0 | 0 | 109.6 | R329 V330 L354 W729 F750 | R329-V748 CarbonylContact C-O 3.56Å; R329-V748 VanDerWaalsContact CA-O 3.32Å; R329-V748 WeakPolarHBondContact CA-O 3.45Å; V330-V748 HydrophobicContact CB-CG1 4.11Å; V330-V748 PolarHBondContact N-O 2.97Å; V330-V748 PolarHBondContact O-N 3.29Å; L354-V748 HydrophobicContact CD1-CG1 3.86Å; W729-V748 HydrophobicContact CB-CB 4.34Å; W729-V748 HydrophobicContact CB-CG1 4.32Å; W729-V748 HydrophobicContact CB-CG2 4Å; W729-V748 HydrophobicContact CD2-CB 4.01Å; W729-V748 HydrophobicContact CD2-CG1 4.01Å; W729-V748 HydrophobicContact CE3-CG1 4.37Å; W729-V748 HydrophobicContact CG-CB 3.77Å; W729-V748 HydrophobicContact CG-CG1 4.01Å; W729-V748 HydrophobicContact CG-CG2 3.82Å; V748-F750 HydrophobicContact CG1-CD2 3.99Å; V748-F750 HydrophobicContact CG1-CE2 3.43Å; V748-F750 VanDerWaalsContact CG1-CE2 3.43Å; V748-F750 HydrophobicContact CG1-CZ 3.85Å; V748-F750 HydrophobicContact CG2-CD1 4.48Å; V748-F750 HydrophobicContact CG2-CD2 4.5Å; V748-F750 HydrophobicContact CG2-CE1 4.28Å; V748-F750 HydrophobicContact CG2-CE2 4.3Å; V748-F750 HydrophobicContact CG2-CZ 4.2Å |
| 749 | V | 91.6 | Very high | 85.6 | Confident | 52 Ų | 52 | 55.4 Ų | 55.4 | 32% | 0.315 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 123.3 | 166.8 | -178.4 | 0 | 0 | 0 | 0 | 107.3 | K327 R329 L844 | K327-V749 HydrophobicContact CB-CG1 3.96Å; R329-V749 HydrophobicContact CB-CG2 4.12Å; R329-V749 HydrophobicContact CG-CG2 4.03Å; V749-L844 HydrophobicContact CG1-CD1 4.07Å; V749-L844 HydrophobicContact CG2-CD1 4.11Å |
| 750 | F | 90.1 | Very high | 86.1 | Confident | 6 Ų | 6 | 53.9 Ų | 53.9 | 3% | 0.026 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 149.7 | 171.9 | -64.6 | -76.8 | 0 | 0 | 0 | 110.5 | K327 L328 V330 L354 L356 W729 V748 L759 | K327-F750 CarbonylContact C-O 3.49Å; K327-F750 WeakPolarHBondContact CA-O 3.38Å; L328-F750 PolarHBondContact N-O 3.25Å; L328-F750 PolarHBondContact O-N 3.27Å; V330-F750 HydrophobicContact CB-CE2 4.46Å; V330-F750 HydrophobicContact CG2-CD2 3.87Å; V330-F750 HydrophobicContact CG2-CE2 4.02Å; L354-F750 HydrophobicContact CB-CE2 4.06Å; L354-F750 HydrophobicContact CB-CZ 3.8Å; L354-F750 HydrophobicContact CD1-CE2 4.37Å; L356-F750 HydrophobicContact CD1-CB 3.54Å; L356-F750 HydrophobicContact CD1-CD1 4.14Å; L356-F750 HydrophobicContact CD1-CG 3.91Å; L356-F750 HydrophobicContact CG-CB 4.15Å; L356-F750 HydrophobicContact CG-CD1 4.07Å; L356-F750 HydrophobicContact CG-CD2 4.36Å; L356-F750 HydrophobicContact CG-CG 3.98Å; W729-F750 HydrophobicContact CB-CE1 4.22Å; W729-F750 HydrophobicContact CB-CZ 3.9Å; V748-F750 HydrophobicContact CG1-CD2 3.99Å; V748-F750 HydrophobicContact CG1-CE2 3.43Å; V748-F750 VanDerWaalsContact CG1-CE2 3.43Å; V748-F750 HydrophobicContact CG1-CZ 3.85Å; V748-F750 HydrophobicContact CG2-CD1 4.48Å; V748-F750 HydrophobicContact CG2-CD2 4.5Å; V748-F750 HydrophobicContact CG2-CE1 4.28Å; V748-F750 HydrophobicContact CG2-CE2 4.3Å; V748-F750 HydrophobicContact CG2-CZ 4.2Å; F750-L759 HydrophobicContact CE2-CD1 4.04Å |
| 751 | E | 89 | Confident | 86.4 | Confident | 125 Ų | 125 | 51.9 Ų | 51.9 | 58% | 0.584 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98 | 110.1 | 170.1 | -56.2 | -166 | 149.8 | 0 | 0 | 108.2 | K327 E753 | K327-E751 WeakPolarHBondContact CE-OE1 3.36Å; K327-E751 HydrophobicContact CG-CG 4.45Å; K327-E751 IonicContact NZ-OE1 2.84Å; K327-E751 PolarHBondContact NZ-OE1 3.2Å; E751-E753 PolarHBondContact O-N 2.77Å |
| 752 | V | 88.1 | Confident | 86.6 | Confident | 6 Ų | 6 | 51.8 Ų | 51.8 | 4% | 0.036 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 98.2 | -172.7 | -172.9 | 0 | 0 | 0 | 0 | 109.4 | V324 E325 G326 L328 L356 H756 L784 | V324-V752 HydrophobicContact CB-CG1 4.34Å; V324-V752 HydrophobicContact CG2-CG1 4.46Å; V324-V752 VanDerWaalsContact O-CB 3.25Å; V324-V752 WeakPolarHBondContact O-CB 3.14Å; V324-V752 WeakPolarHBondContact O-CG1 3.31Å; E325-V752 WeakPolarHBondContact CA-O 3.35Å; G326-V752 PolarHBondContact N-O 3.47Å; G326-V752 PolarHBondContact O-N 2.96Å; L328-V752 HydrophobicContact CB-CG2 3.63Å; L328-V752 HydrophobicContact CD2-CG2 4.23Å; L356-V752 HydrophobicContact CD1-CG2 4.13Å; V752-H756 HydrophobicContact CG1-CB 4.26Å; V752-L784 HydrophobicContact CG1-CD1 3.92Å |
| 753 | E | 84.4 | Confident | 86.8 | Confident | 109 Ų | 109 | 48.1 Ų | 48.1 | 51% | 0.509 | 25% | 0.248 | S | C | . | . | trans | -75.5 | 157.6 | 170 | -62.9 | -173.9 | -166.3 | 0 | 0 | 113.6 | E751 H755 H756 | E751-E753 PolarHBondContact O-N 2.77Å; E753-H755 PolarHBondContact O-N 3.45Å; E753-H755 IonicContact OE2-CE1 2.99Å; E753-H755 PolarHBondContact OE2-CE1 3.25Å; E753-H755 IonicContact OE2-ND1 2.52Å; E753-H755 PolarHBondContact OE2-ND1 2.97Å; E753-H756 PolarHBondContact N-ND1 2.79Å; E753-H756 VanDerWaalsContact N-ND1 3.11Å; E753-H756 PolarHBondContact O-N 3.15Å; E753-H756 PolarHBondContact O-ND1 2.88Å; E753-H756 VanDerWaalsContact O-ND1 3.16Å | ||
| 754 | T | 78.3 | Confident | 86.7 | Confident | 80 Ų | 80 | 47.2 Ų | 47.2 | 49% | 0.491 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -35.9 | -33.6 | 170.1 | 53.9 | 0 | 0 | 0 | 0 | 116.5 | E325 | E325-T754 WeakPolarHBondContact OE1-CG2 3.36Š|
| 755 | H | 80.5 | Confident | 87.1 | Confident | 96 Ų | 96 | 42 Ų | 42 | 44% | 0.444 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -10.8 | -169.9 | 79.3 | -103.1 | 0 | 0 | 0 | 113.6 | S358 E753 | S358-H755 VanDerWaalsContact CB-O 3.28Å; S358-H755 WeakPolarHBondContact CB-O 3.4Å; E753-H755 PolarHBondContact O-N 3.45Å; E753-H755 IonicContact OE2-CE1 2.99Å; E753-H755 PolarHBondContact OE2-CE1 3.25Å; E753-H755 IonicContact OE2-ND1 2.52Å; E753-H755 PolarHBondContact OE2-ND1 2.97Å |
| 756 | H | 86.8 | Confident | 87.5 | Confident | 16 Ų | 16 | 37.3 Ų | 37.3 | 7% | 0.074 | 19% | 0.188 | C | C | . | . | trans | -83.7 | 134.2 | 176.9 | -55.8 | 109.9 | 0 | 0 | 0 | 111 | V752 E753 L784 | V752-H756 HydrophobicContact CG1-CB 4.26Å; E753-H756 PolarHBondContact N-ND1 2.79Å; E753-H756 VanDerWaalsContact N-ND1 3.11Å; E753-H756 PolarHBondContact O-N 3.15Å; E753-H756 PolarHBondContact O-ND1 2.88Å; E753-H756 VanDerWaalsContact O-ND1 3.16Å; H756-L784 HydrophobicContact CB-CD1 3.61Å | ||
| 757 | K | 85.1 | Confident | 86.8 | Confident | 51 Ų | 51 | 37.8 Ų | 37.8 | 22% | 0.222 | 19% | 0.189 | C | C | . | . | trans | -118.3 | -23.3 | 171.6 | -69.8 | -154.8 | 169.5 | -160.2 | 0 | 113.4 | D313 S357 L784 | D313-K757 IonicContact OD1-NZ 3.65Å; D313-K757 PolarHBondContact OD1-NZ 3.31Å; D313-K757 IonicContact OD2-NZ 2.77Å; D313-K757 PolarHBondContact OD2-NZ 2.85Å; S357-K757 PolarHBondContact O-N 2.92Å; K757-L784 PolarHBondContact O-N 3.41Å | ||
| 758 | Y | 88.8 | Confident | 85.5 | Confident | 52 Ų | 52 | 38.6 Ų | 38.6 | 20% | 0.204 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 137.3 | -174.8 | -60.5 | -87.6 | 0 | 0 | 0 | 112.5 | S357 Q360 L782 P783 | S357-Y758 PolarHBondContact N-O 3.2Å; S357-Y758 PolarHBondContact O-N 3.37Å; Q360-Y758 HydrophobicContact CG-CD1 3.92Å; Q360-Y758 HydrophobicContact CG-CD2 4.23Å; Q360-Y758 HydrophobicContact CG-CE1 3.5Å; Q360-Y758 HydrophobicContact CG-CE2 3.88Å; Q360-Y758 HydrophobicContact CG-CG 4.25Å; Q360-Y758 VanDerWaalsContact CG-CZ 3.49Å; Q360-Y758 PolarHBondContact NE2-OH 3.07Å; Y758-L782 WeakPolarHBondContact CA-O 3.47Å; Y758-P783 HydrophobicContact CD1-CG 4.44Å; Y758-P783 HydrophobicContact CE1-CG 4.16Å |
| 759 | L | 91.1 | Very high | 84 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 111.7 | 154.6 | 177.4 | 68.6 | 0 | 0 | 0 | 108.1 | V330 L354 L356 F750 V761 L782 L784 F841 | V330-L759 HydrophobicContact CG1-CD2 4.21Å; V330-L759 HydrophobicContact CG2-CD2 3.95Å; L354-L759 HydrophobicContact CB-CD1 4.3Å; L356-L759 HydrophobicContact CD2-CB 4.14Å; L356-L759 HydrophobicContact CD2-CD1 3.83Å; L356-L759 HydrophobicContact CG-CD1 4.47Å; F750-L759 HydrophobicContact CE2-CD1 4.04Å; L759-V761 HydrophobicContact CD2-CG2 4.41Å; L759-V761 HydrophobicContact CG-CG2 4.17Å; L759-L782 HydrophobicContact CB-CB 4.49Å; L759-L782 PolarHBondContact N-O 3.15Å; L759-L782 PolarHBondContact O-N 3.18Å; L759-L784 HydrophobicContact CB-CD2 3.95Å; L759-F841 HydrophobicContact CD2-CE1 3.57Å; L759-F841 HydrophobicContact CD2-CZ 4.26Å |
| 760 | N | 90.9 | Very high | 82.5 | Confident | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 139.6 | 173.5 | -68.2 | -37.6 | 0 | 0 | 0 | 110.4 | L354 E355 S357 Q359 W361 S781 | L354-N760 CarbonylContact C-O 3.59Å; L354-N760 WeakPolarHBondContact CA-O 3.32Å; E355-N760 HydrophobicContact CB-CB 4.29Å; E355-N760 PolarHBondContact N-O 2.69Å; E355-N760 WeakPolarHBondContact O-CB 3.45Å; E355-N760 PolarHBondContact O-N 2.62Å; S357-N760 PolarHBondContact OG-ND2 2.94Å; Q359-N760 PolarHBondContact O-ND2 3.46Å; W361-N760 HydrophobicContact CB-CB 4.18Å; W361-N760 HydrophobicContact CD2-CB 4.5Å; W361-N760 HydrophobicContact CE3-CB 3.73Å; W361-N760 PolarHBondContact N-OD1 2.95Å; N760-S781 VanDerWaalsContact OD1-CB 3.24Å; N760-S781 WeakPolarHBondContact OD1-CB 3.27Å; N760-S781 PolarHBondContact OD1-OG 3.1Å |
| 761 | V | 91.9 | Very high | 80.5 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 122.9 | -174.3 | -176.5 | 0 | 0 | 0 | 0 | 108 | T353 L354 L759 H779 V780 L782 I837 L839 | T353-V761 WeakPolarHBondContact O-CA 3.47Å; L354-V761 HydrophobicContact CD2-CB 4.18Å; L354-V761 HydrophobicContact CD2-CG1 3.85Å; L354-V761 HydrophobicContact CD2-CG2 3.71Å; L759-V761 HydrophobicContact CD2-CG2 4.41Å; L759-V761 HydrophobicContact CG-CG2 4.17Å; V761-H779 CarbonylContact O-C 3.47Å; V761-H779 WeakPolarHBondContact O-CA 3.44Å; V761-H779 WeakPolarHBondContact O-CB 3.19Å; V761-V780 HydrophobicContact CB-CG1 3.81Å; V761-V780 HydrophobicContact CG1-CG1 4.35Å; V761-V780 HydrophobicContact CG2-CG1 4.33Å; V761-V780 PolarHBondContact N-O 3.12Å; V761-V780 PolarHBondContact O-N 3.09Å; V761-L782 HydrophobicContact CG2-CD1 4.21Å; V761-I837 HydrophobicContact CG1-CD1 3.75Å; V761-I837 HydrophobicContact CG1-CG2 4.38Å; V761-L839 HydrophobicContact CG1-CD1 4.28Å; V761-L839 HydrophobicContact CG2-CD1 3.96Å |
| 762 | A | 90.4 | Very high | 78.8 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 143.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | C352 T353 W361 W764 H779 | C352-A762 CarbonylContact C-O 3.59Å; C352-A762 VanDerWaalsContact CA-O 3.28Å; C352-A762 WeakPolarHBondContact CA-O 3.45Å; C352-A762 PolarHBondContact SG-O 2.9Å; T353-A762 PolarHBondContact N-O 3.13Å; T353-A762 PolarHBondContact O-N 3.08Å; W361-A762 HydrophobicContact CH2-CB 3.68Å; W361-A762 HydrophobicContact CZ2-CB 3.47Å; W361-A762 VanDerWaalsContact CZ2-CB 3.47Å; W361-A762 HydrophobicContact CZ3-CB 4.34Å; A762-W764 HydrophobicContact CB-CZ2 4.46Å; A762-H779 HydrophobicContact CB-CB 4.02Å |
| 763 | L | 89.9 | Confident | 77.8 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 139.1 | 172.7 | -70 | -172.9 | 0 | 0 | 0 | 111 | C335 L338 H351 C352 W743 C776 L777 G778 L805 I837 | C335-L763 HydrophobicContact CB-CD1 3.71Å; L338-L763 HydrophobicContact CD1-CD1 3.9Å; L338-L763 HydrophobicContact CD2-CD1 3.63Å; L338-L763 HydrophobicContact CG-CD1 4.4Å; H351-L763 WeakPolarHBondContact O-CA 3.42Å; C352-L763 HydrophobicContact CB-CD2 3.5Å; W743-L763 HydrophobicContact CH2-CD2 4.13Å; L763-C776 WeakPolarHBondContact O-CA 3.5Å; L763-L777 HydrophobicContact CB-CB 4.39Å; L763-L777 PolarHBondContact O-N 3.04Å; L763-G778 PolarHBondContact N-O 2.92Å; L763-L805 HydrophobicContact CD1-CD1 3.53Å; L763-L805 HydrophobicContact CG-CD1 4.1Å; L763-I837 HydrophobicContact CD1-CD1 4.44Å; L763-I837 HydrophobicContact CD2-CD1 3.84Å; L763-I837 HydrophobicContact CG-CD1 4.17Å |
| 764 | W | 86.6 | Confident | 77.3 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 150.6 | -175.8 | -54.8 | 91.2 | 0 | 0 | 0 | 111 | V350 H351 T353 W361 R366 A762 L774 L775 C776 | V350-W764 VanDerWaalsContact CA-O 3.27Å; V350-W764 WeakPolarHBondContact CA-O 3.37Å; H351-W764 AromaticContact CD2-CD1 3.79Å; H351-W764 PolarHBondContact N-O 3.29Å; H351-W764 WeakPolarHBondContact NE2-CB 3.44Å; H351-W764 AromaticContact NE2-CD1 3.74Å; H351-W764 AromaticContact NE2-CG 3.71Å; H351-W764 PolarHBondContact O-N 2.96Å; T353-W764 PolarHBondContact OG1-NE1 3.25Å; W361-W764 AromaticContact CH2-CZ2 3.85Å; W361-W764 HydrophobicContact CH2-CZ2 3.85Å; W361-W764 HydrophobicContact CZ2-CH2 4.27Å; W361-W764 AromaticContact CZ2-CZ2 3.63Å; W361-W764 HydrophobicContact CZ2-CZ2 3.63Å; R366-W764 HydrophobicContact CB-CH2 4.25Å; R366-W764 HydrophobicContact CG-CH2 4.08Å; R366-W764 HydrophobicContact CG-CZ2 4.22Å; A762-W764 HydrophobicContact CB-CZ2 4.46Å; W764-L774 HydrophobicContact CE3-CB 3.84Å; W764-L774 HydrophobicContact CZ3-CB 4.46Å; W764-L775 WeakPolarHBondContact CA-O 3.44Å; W764-C776 HydrophobicContact CE3-CB 3.89Å; W764-C776 HydrophobicContact CH2-CB 4.32Å; W764-C776 HydrophobicContact CZ3-CB 3.77Å |
| 765 | C | 86.4 | Confident | 77.4 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 169.3 | 160.8 | 77.1 | 0 | 0 | 0 | 0 | 110.8 | T348 Y349 V350 L774 L775 L777 | T348-C765 HydrophobicContact CG2-CB 4.02Å; Y349-C765 VanDerWaalsContact O-CB 3.29Å; Y349-C765 WeakPolarHBondContact O-CB 3.43Å; V350-C765 HydrophobicContact CG1-CB 4.37Å; C765-L774 CarbonylContact O-C 3.56Å; C765-L774 WeakPolarHBondContact O-CA 3.48Å; C765-L775 PolarHBondContact N-O 3.14Å; C765-L775 PolarHBondContact O-N 3.09Å; C765-L777 HydrophobicContact CB-CD1 4.07Å; C765-L777 HydrophobicContact CB-CG 4.43Å |
| 766 | K | 79.7 | Confident | 77.6 | Confident | 103 Ų | 103 | 39.3 Ų | 39.3 | 45% | 0.448 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 134.6 | 171.1 | -70.3 | 160.8 | -176.8 | 151.1 | 0 | 110.1 | E733 P768 L774 | E733-K766 WeakPolarHBondContact OE1-CE 3.41Å; E733-K766 IonicContact OE1-NZ 2.83Å; E733-K766 PolarHBondContact OE1-NZ 3.27Å; E733-K766 IonicContact OE2-NZ 3.36Å; E733-K766 PolarHBondContact OE2-NZ 3.47Å; K766-P768 WeakPolarHBondContact O-CD 3.32Å; K766-L774 HydrophobicContact CG-CD2 4.4Å |
| 767 | D | 72.4 | Confident | 77.5 | Confident | 15 Ų | 15 | 38.8 Ų | 38.8 | 8% | 0.08 | 20% | 0.198 | C | C | . | . | trans | -74.9 | 118.1 | 175.9 | -175.5 | -16.1 | 0 | 0 | 0 | 110 | F769 K770 S773 L775 | D767-F769 PolarHBondContact O-N 2.96Å; D767-F769 WeakPolarHBondContact OD1-CA 3.48Å; D767-F769 WeakPolarHBondContact OD1-CB 3.4Å; D767-F769 PolarHBondContact OD1-N 3.01Å; D767-K770 HydrophobicContact CB-CB 4.14Å; D767-K770 CarbonylContact O-C 3.56Å; D767-K770 PolarHBondContact O-N 3.34Å; D767-K770 PolarHBondContact OD1-N 2.97Å; D767-K770 WeakPolarHBondContact OD2-CB 3.39Å; D767-S773 WeakPolarHBondContact CB-O 3.46Å; D767-S773 PolarHBondContact N-O 3.3Å; D767-L775 HydrophobicContact CB-CB 4.36Å | ||
| 768 | P | 62.1 | Low | 77.6 | Confident | 73 Ų | 73 | 36.4 Ų | 36.4 | 47% | 0.474 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -71.6 | -14.7 | 179.5 | 34.2 | -40.5 | 0 | 0 | 0 | 113.4 | L341 K766 | L341-P768 HydrophobicContact CD1-CG 3.64Å; L341-P768 HydrophobicContact CD2-CG 3.82Å; L341-P768 HydrophobicContact CG-CG 4.39Å; K766-P768 WeakPolarHBondContact O-CD 3.32Å |
| 769 | F | 59.1 | Low | 77.7 | Confident | 153 Ų | 153 | 35.8 Ų | 35.8 | 67% | 0.671 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -97.9 | -16.7 | 178.6 | -53.7 | -66 | 0 | 0 | 0 | 112.4 | L341 D767 | L341-F769 HydrophobicContact CD2-CE2 4Å; D767-F769 PolarHBondContact O-N 2.96Å; D767-F769 WeakPolarHBondContact OD1-CA 3.48Å; D767-F769 WeakPolarHBondContact OD1-CB 3.4Å; D767-F769 PolarHBondContact OD1-N 3.01Å |
| 770 | K | 60.6 | Low | 77.7 | Confident | 107 Ų | 107 | 36.7 Ų | 36.7 | 47% | 0.465 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -133.9 | 92.1 | 178.9 | -64.4 | -176.7 | 177.3 | -171.9 | 0 | 111.3 | D767 G772 S773 | D767-K770 HydrophobicContact CB-CB 4.14Å; D767-K770 CarbonylContact O-C 3.56Å; D767-K770 PolarHBondContact O-N 3.34Å; D767-K770 PolarHBondContact OD1-N 2.97Å; D767-K770 WeakPolarHBondContact OD2-CB 3.39Å; K770-G772 PolarHBondContact O-N 3.22Å; K770-S773 WeakPolarHBondContact O-CB 3.32Å; K770-S773 PolarHBondContact O-N 3.17Å |
| 771 | L | 48.4 | Very low | 77.7 | Confident | 142 Ų | 142 | 37.9 Ų | 37.9 | 74% | 0.743 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 111.5 | 179.8 | -72.7 | 83.9 | 0 | 0 | 0 | 111.5 | V454 | V454-L771 WeakPolarHBondContact CG2-O 3.35Š|
| 772 | G | 54 | Low | 77.6 | Confident | 34 Ų | 34 | 38.4 Ų | 38.4 | 35% | 0.351 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 104.5 | -11.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | K770 | K770-G772 PolarHBondContact O-N 3.22Š|
| 773 | S | 65.9 | Low | 77.5 | Confident | 27 Ų | 27 | 39.8 Ų | 39.8 | 19% | 0.189 | 21% | 0.212 | C | C | . | . | B | Isolated β-bridge | trans | -83.3 | 146.6 | 169.4 | -166.8 | 0 | 0 | 0 | 0 | 110.7 | D767 K770 | D767-S773 WeakPolarHBondContact CB-O 3.46Å; D767-S773 PolarHBondContact N-O 3.3Å; K770-S773 WeakPolarHBondContact O-CB 3.32Å; K770-S773 PolarHBondContact O-N 3.17Å |
| 774 | L | 74.7 | Confident | 77.5 | Confident | 22 Ų | 22 | 39.9 Ų | 39.9 | 12% | 0.115 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 150 | 164.7 | -60.5 | 178.6 | 0 | 0 | 0 | 110.2 | W764 C765 K766 | W764-L774 HydrophobicContact CE3-CB 3.84Å; W764-L774 HydrophobicContact CZ3-CB 4.46Å; C765-L774 CarbonylContact O-C 3.56Å; C765-L774 WeakPolarHBondContact O-CA 3.48Å; K766-L774 HydrophobicContact CG-CD2 4.4Å |
| 775 | L | 79.4 | Confident | 77.4 | Confident | 24 Ų | 24 | 42.2 Ų | 42.2 | 13% | 0.126 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 119.2 | 175.1 | 174.8 | 63.5 | 0 | 0 | 0 | 108 | L341 W764 C765 D767 L777 | L341-L775 HydrophobicContact CD2-CD2 3.68Å; L341-L775 HydrophobicContact CG-CD2 4.25Å; W764-L775 WeakPolarHBondContact CA-O 3.44Å; C765-L775 PolarHBondContact N-O 3.14Å; C765-L775 PolarHBondContact O-N 3.09Å; D767-L775 HydrophobicContact CB-CB 4.36Å; L775-L777 PolarHBondContact O-N 2.84Å |
| 776 | C | 85.4 | Confident | 77.3 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.014 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 127.1 | 171.7 | -171.7 | 0 | 0 | 0 | 0 | 109.1 | L763 W764 P808 | L763-C776 WeakPolarHBondContact O-CA 3.5Å; W764-C776 HydrophobicContact CE3-CB 3.89Å; W764-C776 HydrophobicContact CH2-CB 4.32Å; W764-C776 HydrophobicContact CZ3-CB 3.77Å; C776-P808 HydrophobicContact CB-CB 3.87Å |
| 777 | L | 84.6 | Confident | 77.7 | Confident | 6 Ų | 6 | 41 Ų | 41 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | -26.9 | 176.7 | -66.4 | -179.6 | 0 | 0 | 0 | 112 | L338 I340 V350 L763 C765 L775 Y834 | L338-L777 HydrophobicContact CD1-CD1 3.91Å; I340-L777 HydrophobicContact CG1-CD1 3.97Å; I340-L777 HydrophobicContact CG1-CD2 4.08Å; V350-L777 HydrophobicContact CG1-CD1 3.84Å; L763-L777 HydrophobicContact CB-CB 4.39Å; L763-L777 PolarHBondContact O-N 3.04Å; C765-L777 HydrophobicContact CB-CD1 4.07Å; C765-L777 HydrophobicContact CB-CG 4.43Å; L775-L777 PolarHBondContact O-N 2.84Å; L777-Y834 WeakPolarHBondContact O-CD1 3.38Å |
| 778 | G | 88.1 | Confident | 78.3 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.2 | 159.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L763 G806 | L763-G778 PolarHBondContact N-O 2.92Å; G778-G806 VanDerWaalsContact CA-O 3.27Å; G778-G806 WeakPolarHBondContact CA-O 3.28Å |
| 779 | H | 89.6 | Confident | 79.5 | Confident | 39 Ų | 39 | 40.6 Ų | 40.6 | 18% | 0.181 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 161.8 | -177.3 | 74.5 | 95.5 | 0 | 0 | 0 | 112.5 | W361 V761 A762 G806 P807 | W361-H779 AromaticContact CD1-CD2 3.85Å; W361-H779 AromaticContact CD1-CE1 3.61Å; W361-H779 AromaticContact CD1-CG 3.37Å; W361-H779 AromaticContact CD1-ND1 3.22Å; W361-H779 AromaticContact CD1-NE2 3.98Å; W361-H779 HydrophobicContact CG-CB 4.31Å; W361-H779 AromaticContact CG-ND1 3.66Å; W361-H779 AromaticContact NE1-CG 3.8Å; V761-H779 CarbonylContact O-C 3.47Å; V761-H779 WeakPolarHBondContact O-CA 3.44Å; V761-H779 WeakPolarHBondContact O-CB 3.19Å; A762-H779 HydrophobicContact CB-CB 4.02Å; H779-G806 PolarHBondContact N-O 3.13Å; H779-G806 PolarHBondContact O-N 3.33Å; H779-P807 PolarHBondContact CD2-O 3.2Å; H779-P807 PolarHBondContact NE2-O 3.42Å |
| 780 | V | 90.6 | Very high | 80.8 | Confident | 19 Ų | 19 | 37 Ų | 37 | 12% | 0.115 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 144.3 | 171.6 | 64.4 | 0 | 0 | 0 | 0 | 110.2 | V761 L782 F803 L805 I837 | V761-V780 HydrophobicContact CB-CG1 3.81Å; V761-V780 HydrophobicContact CG1-CG1 4.35Å; V761-V780 HydrophobicContact CG2-CG1 4.33Å; V761-V780 PolarHBondContact N-O 3.12Å; V761-V780 PolarHBondContact O-N 3.09Å; V780-L782 HydrophobicContact CG1-CD2 4.29Å; V780-L782 HydrophobicContact CG1-CG 4.44Å; V780-L782 HydrophobicContact CG2-CD2 3.72Å; V780-F803 HydrophobicContact CG1-CB 4.27Å; V780-L805 HydrophobicContact CB-CD2 4.43Å; V780-L805 HydrophobicContact CG1-CD2 4.12Å; V780-I837 HydrophobicContact CG1-CG2 4.38Å |
| 781 | S | 91.1 | Very high | 82 | Confident | 29 Ų | 29 | 32 Ų | 32 | 20% | 0.203 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 119.5 | 174.1 | -66.7 | 0 | 0 | 0 | 0 | 108.8 | W361 N760 | W361-S781 WeakPolarHBondContact CB-OG 3.34Å; W361-S781 PolarHBondContact N-OG 3.38Å; N760-S781 VanDerWaalsContact OD1-CB 3.24Å; N760-S781 WeakPolarHBondContact OD1-CB 3.27Å; N760-S781 PolarHBondContact OD1-OG 3.1Å |
| 782 | L | 90.3 | Very high | 83.6 | Confident | 10 Ų | 10 | 30.2 Ų | 30.2 | 5% | 0.052 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 117.4 | -175.3 | -56.5 | -179.2 | 0 | 0 | 0 | 109.6 | Y758 L759 V761 V780 L784 F803 L839 F841 | Y758-L782 WeakPolarHBondContact CA-O 3.47Å; L759-L782 HydrophobicContact CB-CB 4.49Å; L759-L782 PolarHBondContact N-O 3.15Å; L759-L782 PolarHBondContact O-N 3.18Å; V761-L782 HydrophobicContact CG2-CD1 4.21Å; V780-L782 HydrophobicContact CG1-CD2 4.29Å; V780-L782 HydrophobicContact CG1-CG 4.44Å; V780-L782 HydrophobicContact CG2-CD2 3.72Å; L782-L784 PolarHBondContact O-N 2.91Å; L782-F803 HydrophobicContact CD1-CD1 4.2Å; L782-F803 HydrophobicContact CD1-CD2 4.16Å; L782-F803 HydrophobicContact CD1-CE1 4.17Å; L782-F803 HydrophobicContact CD1-CE2 4.15Å; L782-F803 HydrophobicContact CD1-CG 4.19Å; L782-F803 HydrophobicContact CD1-CZ 4.14Å; L782-F803 HydrophobicContact CD2-CB 4.39Å; L782-F803 HydrophobicContact CD2-CD1 3.32Å; L782-F803 HydrophobicContact CD2-CE1 3.66Å; L782-F803 HydrophobicContact CD2-CG 3.86Å; L782-F803 HydrophobicContact CD2-CZ 4.44Å; L782-F803 HydrophobicContact CG-CD1 4.43Å; L782-L839 HydrophobicContact CD1-CD1 3.93Å; L782-F841 HydrophobicContact CD1-CE2 4.44Å; L782-F841 HydrophobicContact CD1-CZ 3.73Å |
| 783 | P | 89.3 | Confident | 85 | Confident | 30 Ų | 30 | 32.5 Ų | 32.5 | 20% | 0.195 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 126.3 | 173.7 | -19.8 | 31.8 | 0 | 0 | 0 | 110.5 | L308 Y758 E785 H786 V787 | L308-P783 HydrophobicContact CD2-CG 4.16Å; Y758-P783 HydrophobicContact CD1-CG 4.44Å; Y758-P783 HydrophobicContact CE1-CG 4.16Å; P783-E785 VanDerWaalsContact C-N 3.28Å; P783-E785 PolarHBondContact O-N 3.18Å; P783-H786 PolarHBondContact O-N 3.28Å; P783-V787 PolarHBondContact O-N 3.3Å |
| 784 | L | 88.4 | Confident | 85.7 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.9 | -34 | -176.1 | -69.4 | 167.8 | 0 | 0 | 0 | 112.1 | V324 L328 L356 V752 H756 K757 L759 L782 H786 V787 A788 | V324-L784 HydrophobicContact CB-CB 4.19Å; V324-L784 HydrophobicContact CG1-CB 3.83Å; L328-L784 HydrophobicContact CD2-CD2 3.93Å; L356-L784 HydrophobicContact CD2-CD1 4.16Å; L356-L784 HydrophobicContact CD2-CD2 3.99Å; V752-L784 HydrophobicContact CG1-CD1 3.92Å; H756-L784 HydrophobicContact CB-CD1 3.61Å; K757-L784 PolarHBondContact O-N 3.41Å; L759-L784 HydrophobicContact CB-CD2 3.95Å; L782-L784 PolarHBondContact O-N 2.91Å; L784-H786 VanDerWaalsContact C-N 3.32Å; L784-H786 PolarHBondContact O-N 3.42Å; L784-V787 PolarHBondContact O-N 2.93Å; L784-V787 VanDerWaalsContact O-N 3.16Å; L784-A788 WeakPolarHBondContact O-CB 3.29Å; L784-A788 PolarHBondContact O-N 3.38Å |
| 785 | E | 84.6 | Confident | 85.8 | Confident | 50 Ų | 50 | 37.9 Ų | 37.9 | 23% | 0.234 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -54.9 | -44.6 | 175.1 | -65.7 | 153.7 | -147.2 | 0 | 0 | 112.1 | V324 P783 A788 L789 | V324-E785 HydrophobicContact CG1-CB 4.38Å; V324-E785 HydrophobicContact CG1-CG 3.98Å; P783-E785 VanDerWaalsContact C-N 3.28Å; P783-E785 PolarHBondContact O-N 3.18Å; E785-A788 PolarHBondContact O-N 2.94Å; E785-L789 WeakPolarHBondContact O-CB 3.46Å; E785-L789 VanDerWaalsContact O-CG 3.28Å; E785-L789 WeakPolarHBondContact O-CG 3.29Å; E785-L789 PolarHBondContact O-N 3.46Å |
| 786 | H | 85.1 | Confident | 85.8 | Confident | 77 Ų | 77 | 40 Ų | 40 | 36% | 0.356 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -69 | -39.1 | 178.5 | 177.8 | 32.3 | 0 | 0 | 0 | 111.5 | P783 L784 E790 | P783-H786 PolarHBondContact O-N 3.28Å; L784-H786 VanDerWaalsContact C-N 3.32Å; L784-H786 PolarHBondContact O-N 3.42Å; H786-E790 IonicContact CE1-OE1 2.78Å; H786-E790 PolarHBondContact CE1-OE1 3.1Å; H786-E790 VanDerWaalsContact CE1-OE1 3.29Å; H786-E790 IonicContact ND1-OE1 2.64Å; H786-E790 VanDerWaalsContact O-CG 3.32Å; H786-E790 WeakPolarHBondContact O-CG 3.27Å; H786-E790 PolarHBondContact O-N 3.37Å; H786-E790 VanDerWaalsContact O-N 3.09Å |
| 787 | V | 87 | Confident | 85.7 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.012 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.9 | -44.6 | 175.4 | 176.7 | 0 | 0 | 0 | 0 | 110.8 | L328 P783 L784 E790 C791 F841 | L328-V787 HydrophobicContact CD1-CG1 4.49Å; P783-V787 PolarHBondContact O-N 3.3Å; L784-V787 PolarHBondContact O-N 2.93Å; L784-V787 VanDerWaalsContact O-N 3.16Å; V787-E790 PolarHBondContact O-N 3.22Å; V787-C791 WeakPolarHBondContact O-CB 3.39Å; V787-C791 PolarHBondContact O-N 2.7Å; V787-C791 PolarHBondContact O-SG 2.96Å; V787-F841 HydrophobicContact CG1-CB 3.68Å; V787-F841 HydrophobicContact CG1-CD1 3.81Å; V787-F841 HydrophobicContact CG1-CD2 3.77Å; V787-F841 HydrophobicContact CG1-CE1 4.43Å; V787-F841 HydrophobicContact CG1-CE2 4.38Å; V787-F841 HydrophobicContact CG1-CG 3.45Å; V787-F841 VanDerWaalsContact CG1-CG 3.45Å; V787-F841 HydrophobicContact CG2-CD2 4.44Å; V787-F841 HydrophobicContact CG2-CE2 4.29Å; V787-F841 HydrophobicContact CG2-CZ 4.45Å |
| 788 | A | 86.6 | Confident | 85.8 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.008 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.4 | -47.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L323 V324 L784 E785 E790 C791 M792 Y843 | L323-A788 HydrophobicContact CG-CB 4.48Å; L323-A788 WeakPolarHBondContact O-CB 3.49Å; V324-A788 HydrophobicContact CG1-CB 4.29Å; L784-A788 WeakPolarHBondContact O-CB 3.29Å; L784-A788 PolarHBondContact O-N 3.38Å; E785-A788 PolarHBondContact O-N 2.94Å; A788-E790 PolarHBondContact O-N 3.25Å; A788-C791 PolarHBondContact O-N 2.78Å; A788-M792 WeakPolarHBondContact O-CG 3.23Å; A788-M792 PolarHBondContact O-N 2.81Å; A788-Y843 HydrophobicContact CB-CE2 3.92Å |
| 789 | L | 85.8 | Confident | 85.8 | Confident | 78 Ų | 78 | 46.6 Ų | 46.6 | 41% | 0.408 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -58.5 | -45.2 | 177.5 | -76.3 | 166.1 | 0 | 0 | 0 | 112.8 | L316 L323 E785 M792 A793 | L316-L789 HydrophobicContact CD1-CD1 4.37Å; L316-L789 HydrophobicContact CD1-CD2 4.21Å; L323-L789 HydrophobicContact CD2-CD2 3.69Å; L323-L789 HydrophobicContact CD2-CG 3.85Å; E785-L789 WeakPolarHBondContact O-CB 3.46Å; E785-L789 VanDerWaalsContact O-CG 3.28Å; E785-L789 WeakPolarHBondContact O-CG 3.29Å; E785-L789 PolarHBondContact O-N 3.46Å; L789-M792 HydrophobicContact CD2-CE 4.09Å; L789-A793 PolarHBondContact O-N 2.85Å; L789-A793 VanDerWaalsContact O-N 3.1Å |
| 790 | E | 86.3 | Confident | 85.8 | Confident | 78 Ų | 78 | 47.1 Ų | 47.1 | 36% | 0.364 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -70.9 | -35.1 | 178.2 | -64.3 | -73.2 | 168.7 | 0 | 0 | 112 | H786 V787 A788 A793 Y799 | H786-E790 IonicContact CE1-OE1 2.78Å; H786-E790 PolarHBondContact CE1-OE1 3.1Å; H786-E790 VanDerWaalsContact CE1-OE1 3.29Å; H786-E790 IonicContact ND1-OE1 2.64Å; H786-E790 VanDerWaalsContact O-CG 3.32Å; H786-E790 WeakPolarHBondContact O-CG 3.27Å; H786-E790 PolarHBondContact O-N 3.37Å; H786-E790 VanDerWaalsContact O-N 3.09Å; V787-E790 PolarHBondContact O-N 3.22Å; A788-E790 PolarHBondContact O-N 3.25Å; E790-A793 PolarHBondContact O-N 2.99Å; E790-Y799 HydrophobicContact CB-CD1 3.53Å; E790-Y799 HydrophobicContact CB-CD2 3.78Å; E790-Y799 HydrophobicContact CB-CE1 3.68Å; E790-Y799 HydrophobicContact CB-CE2 3.94Å; E790-Y799 HydrophobicContact CB-CG 3.59Å; E790-Y799 HydrophobicContact CG-CD1 4.28Å; E790-Y799 HydrophobicContact CG-CE1 3.89Å; E790-Y799 HydrophobicContact CG-CE2 4.17Å |
| 791 | C | 85.9 | Confident | 85.6 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.007 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.1 | -52.6 | 173.1 | -69.2 | 0 | 0 | 0 | 0 | 111.1 | V787 A788 A793 T794 S797 Y843 | V787-C791 WeakPolarHBondContact O-CB 3.39Å; V787-C791 PolarHBondContact O-N 2.7Å; V787-C791 PolarHBondContact O-SG 2.96Å; A788-C791 PolarHBondContact O-N 2.78Å; C791-A793 PolarHBondContact O-N 3.36Å; C791-T794 PolarHBondContact O-N 2.82Å; C791-T794 PolarHBondContact O-OG1 2.89Å; C791-S797 WeakPolarHBondContact O-CA 3.48Å; C791-Y843 HydrophobicContact CB-CD2 3.91Å |
| 792 | M | 82.2 | Confident | 85.4 | Confident | 105 Ų | 105 | 51.4 Ų | 51.4 | 52% | 0.517 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63 | -24.1 | 179.2 | -70.2 | -165.9 | -41.3 | 0 | 0 | 113.9 | L323 A788 L789 T794 | L323-M792 HydrophobicContact CD1-CE 3.71Å; L323-M792 HydrophobicContact CD1-SD 3.72Å; L323-M792 HydrophobicContact CD2-CE 3.74Å; L323-M792 HydrophobicContact CG-CE 3.94Å; L323-M792 HydrophobicContact CG-SD 4.09Å; A788-M792 WeakPolarHBondContact O-CG 3.23Å; A788-M792 PolarHBondContact O-N 2.81Å; L789-M792 HydrophobicContact CD2-CE 4.09Å; M792-T794 PolarHBondContact O-N 2.92Å |
| 793 | A | 83.1 | Confident | 85.2 | Confident | 81 Ų | 81 | 51.7 Ų | 51.7 | 67% | 0.669 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -10.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L789 E790 C791 | L789-A793 PolarHBondContact O-N 2.85Å; L789-A793 VanDerWaalsContact O-N 3.1Å; E790-A793 PolarHBondContact O-N 2.99Å; C791-A793 PolarHBondContact O-N 3.36Å |
| 794 | T | 81.6 | Confident | 85 | Confident | 31 Ų | 31 | 53.4 Ų | 53.4 | 19% | 0.19 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -110.5 | 145.2 | 174.1 | 75.9 | 0 | 0 | 0 | 0 | 111.6 | C791 M792 S796 S797 E798 | C791-T794 PolarHBondContact O-N 2.82Å; C791-T794 PolarHBondContact O-OG1 2.89Å; M792-T794 PolarHBondContact O-N 2.92Å; T794-S796 PolarHBondContact O-N 2.89Å; T794-S796 PolarHBondContact OG1-OG 2.91Å; T794-S797 PolarHBondContact O-N 2.81Å; T794-S797 PolarHBondContact OG1-N 3.41Å; T794-E798 VanDerWaalsContact CG2-O 3.31Å; T794-E798 WeakPolarHBondContact CG2-O 3.46Å; T794-E798 PolarHBondContact OG1-N 2.86Å; T794-E798 PolarHBondContact OG1-O 3.31Å |
| 795 | S | 76.8 | Confident | 85 | Confident | 131 Ų | 131 | 53.4 Ų | 53.4 | 92% | 0.916 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -3.8 | 174.5 | 59.8 | 0 | 0 | 0 | 0 | 114.1 | ||
| 796 | S | 79 | Confident | 84.9 | Confident | 69 Ų | 69 | 52 Ų | 52 | 48% | 0.483 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 1.1 | 176 | 44.3 | 0 | 0 | 0 | 0 | 112.8 | T794 E798 | T794-S796 PolarHBondContact O-N 2.89Å; T794-S796 PolarHBondContact OG1-OG 2.91Å; S796-E798 PolarHBondContact O-N 2.85Å; S796-E798 VanDerWaalsContact O-N 3.13Å |
| 797 | S | 84.5 | Confident | 84.7 | Confident | 48 Ų | 48 | 50.4 Ų | 50.4 | 34% | 0.336 | 29% | 0.294 | S | S | . | . | trans | 52.1 | 28.6 | -172.1 | -59.7 | 0 | 0 | 0 | 0 | 113.4 | C791 T794 C842 Y843 | C791-S797 WeakPolarHBondContact O-CA 3.48Å; T794-S797 PolarHBondContact O-N 2.81Å; T794-S797 PolarHBondContact OG1-N 3.41Å; S797-C842 VanDerWaalsContact O-CA 3.29Å; S797-C842 WeakPolarHBondContact O-CA 3.4Å; S797-Y843 WeakPolarHBondContact CB-O 3.28Å; S797-Y843 PolarHBondContact O-N 3.21Å; S797-Y843 VanDerWaalsContact O-N 3.11Å | ||
| 798 | E | 87 | Confident | 84.2 | Confident | 74 Ų | 74 | 51.6 Ų | 51.6 | 35% | 0.346 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 131.7 | -168.1 | -176.1 | 177.5 | -138.6 | 0 | 0 | 112 | T794 S796 N840 F841 | T794-E798 VanDerWaalsContact CG2-O 3.31Å; T794-E798 WeakPolarHBondContact CG2-O 3.46Å; T794-E798 PolarHBondContact OG1-N 2.86Å; T794-E798 PolarHBondContact OG1-O 3.31Å; S796-E798 PolarHBondContact O-N 2.85Å; S796-E798 VanDerWaalsContact O-N 3.13Å; E798-N840 VanDerWaalsContact CG-OD1 3.3Å; E798-N840 WeakPolarHBondContact CG-OD1 3.24Å; E798-N840 PolarHBondContact OE1-ND2 3.06Å; E798-F841 CarbonylContact C-O 3.59Å; E798-F841 VanDerWaalsContact CA-O 3.25Å; E798-F841 WeakPolarHBondContact CA-O 3.26Å |
| 799 | Y | 87.4 | Confident | 83.3 | Confident | 25 Ų | 25 | 56 Ų | 56 | 10% | 0.098 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 106.5 | 179.8 | 172.8 | -132.9 | 0 | 0 | 0 | 111.3 | E790 S801 F803 N840 F841 | E790-Y799 HydrophobicContact CB-CD1 3.53Å; E790-Y799 HydrophobicContact CB-CD2 3.78Å; E790-Y799 HydrophobicContact CB-CE1 3.68Å; E790-Y799 HydrophobicContact CB-CE2 3.94Å; E790-Y799 HydrophobicContact CB-CG 3.59Å; E790-Y799 HydrophobicContact CG-CD1 4.28Å; E790-Y799 HydrophobicContact CG-CE1 3.89Å; E790-Y799 HydrophobicContact CG-CE2 4.17Å; Y799-S801 VanDerWaalsContact CZ-CB 3.46Å; Y799-S801 WeakPolarHBondContact OH-CB 3.5Å; Y799-S801 PolarHBondContact OH-OG 3.47Å; Y799-F803 HydrophobicContact CE1-CZ 4.22Å; Y799-N840 VanDerWaalsContact C-OD1 3.24Å; Y799-N840 PolarHBondContact O-OD1 3.3Å; Y799-F841 AromaticContact CD1-CD2 3.76Å; Y799-F841 HydrophobicContact CD1-CD2 3.76Å; Y799-F841 HydrophobicContact CD1-CE2 4.42Å; Y799-F841 HydrophobicContact CE1-CD2 4.37Å; Y799-F841 HydrophobicContact CG-CD2 4.48Å; Y799-F841 PolarHBondContact N-O 2.87Å; Y799-F841 VanDerWaalsContact O-CD2 3.27Å; Y799-F841 WeakPolarHBondContact O-CD2 3.4Å; Y799-F841 PolarHBondContact O-N 2.9Å |
| 800 | Q | 89.1 | Confident | 81.8 | Confident | 50 Ų | 50 | 58.2 Ų | 58.2 | 23% | 0.234 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 136.6 | 167.3 | -174.5 | -174.3 | -10.5 | 0 | 0 | 110.7 | Y38 I333 T838 L839 N840 | Y38-Q800 HydrophobicContact CD1-CB 4.01Å; Y38-Q800 HydrophobicContact CD1-CG 4.43Å; Y38-Q800 HydrophobicContact CD2-CB 3.91Å; Y38-Q800 HydrophobicContact CE1-CB 3.77Å; Y38-Q800 WeakPolarHBondContact CE1-O 3.45Å; Y38-Q800 HydrophobicContact CE2-CB 3.67Å; Y38-Q800 HydrophobicContact CG-CB 4.07Å; Y38-Q800 VanDerWaalsContact CZ-O 3.28Å; Y38-Q800 PolarHBondContact OH-N 3.27Å; Y38-Q800 PolarHBondContact OH-O 2.93Å; I333-Q800 HydrophobicContact CD1-CG 3.98Å; Q800-T838 HydrophobicContact CG-CG2 4.21Å; Q800-L839 WeakPolarHBondContact CA-O 3.27Å; Q800-N840 HydrophobicContact CB-CB 4.06Å; Q800-N840 HydrophobicContact CG-CB 4.18Å; Q800-N840 PolarHBondContact N-OD1 3.38Å |
| 801 | S | 85.9 | Confident | 80.2 | Confident | 33 Ų | 33 | 58.6 Ų | 58.6 | 23% | 0.231 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 164.6 | 178.5 | -164.9 | 0 | 0 | 0 | 0 | 113 | Y799 T838 L839 | Y799-S801 VanDerWaalsContact CZ-CB 3.46Å; Y799-S801 WeakPolarHBondContact OH-CB 3.5Å; Y799-S801 PolarHBondContact OH-OG 3.47Å; S801-T838 WeakPolarHBondContact O-CA 3.5Å; S801-L839 PolarHBondContact N-O 3.02Å; S801-L839 PolarHBondContact O-N 3.25Å |
| 802 | I | 87.1 | Confident | 78.2 | Confident | 104 Ų | 104 | 60.4 Ų | 60.4 | 53% | 0.533 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 112.9 | -176.7 | -48.8 | -175.6 | 0 | 0 | 0 | 109.4 | D836 T838 | I802-D836 HydrophobicContact CG2-CB 3.73Å; I802-T838 HydrophobicContact CG1-CG2 4.12Å |
| 803 | F | 86.6 | Confident | 76.5 | Confident | 16 Ų | 16 | 59 Ų | 59 | 7% | 0.07 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 132.4 | -174.8 | -58.1 | -83.4 | 0 | 0 | 0 | 110.9 | V780 L782 Y799 D836 I837 L839 F841 | V780-F803 HydrophobicContact CG1-CB 4.27Å; L782-F803 HydrophobicContact CD1-CD1 4.2Å; L782-F803 HydrophobicContact CD1-CD2 4.16Å; L782-F803 HydrophobicContact CD1-CE1 4.17Å; L782-F803 HydrophobicContact CD1-CE2 4.15Å; L782-F803 HydrophobicContact CD1-CG 4.19Å; L782-F803 HydrophobicContact CD1-CZ 4.14Å; L782-F803 HydrophobicContact CD2-CB 4.39Å; L782-F803 HydrophobicContact CD2-CD1 3.32Å; L782-F803 HydrophobicContact CD2-CE1 3.66Å; L782-F803 HydrophobicContact CD2-CG 3.86Å; L782-F803 HydrophobicContact CD2-CZ 4.44Å; L782-F803 HydrophobicContact CG-CD1 4.43Å; Y799-F803 HydrophobicContact CE1-CZ 4.22Å; F803-D836 CarbonylContact O-C 3.56Å; F803-D836 VanDerWaalsContact O-CA 3.22Å; F803-D836 WeakPolarHBondContact O-CA 3.35Å; F803-D836 WeakPolarHBondContact O-CB 3.14Å; F803-I837 HydrophobicContact CB-CG2 4.17Å; F803-I837 PolarHBondContact N-O 2.66Å; F803-I837 PolarHBondContact O-N 3.33Å; F803-L839 HydrophobicContact CD2-CB 4.37Å; F803-L839 HydrophobicContact CD2-CD1 4.2Å; F803-L839 HydrophobicContact CD2-CG 4.4Å; F803-L839 HydrophobicContact CE2-CB 4.19Å; F803-L839 HydrophobicContact CE2-CD1 4.48Å; F803-F841 AromaticContact CE2-CE2 3.64Å; F803-F841 HydrophobicContact CE2-CE2 3.64Å; F803-F841 HydrophobicContact CE2-CZ 4.14Å; F803-F841 AromaticContact CZ-CE2 3.72Å; F803-F841 HydrophobicContact CZ-CE2 3.72Å; F803-F841 HydrophobicContact CZ-CZ 4.39Å |
| 804 | R | 85.7 | Confident | 74.7 | Confident | 66 Ų | 66 | 57.4 Ų | 57.4 | 25% | 0.249 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 134.1 | 173.5 | 179.7 | 155.6 | -64.9 | 91.2 | 28.6 | 110.3 | D836 | R804-D836 IonicContact CZ-OD1 2.66Å; R804-D836 IonicContact NE-OD1 2.72Å; R804-D836 IonicContact NH2-OD1 3.12Å; R804-D836 PolarHBondContact NH2-OD1 2.95Å |
| 805 | L | 87.6 | Confident | 73 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -79.8 | 135.2 | 171 | -60.8 | 169.3 | 0 | 0 | 0 | 109.9 | L338 L763 V780 G835 I837 | L338-L805 HydrophobicContact CD2-CD1 3.76Å; L763-L805 HydrophobicContact CD1-CD1 3.53Å; L763-L805 HydrophobicContact CG-CD1 4.1Å; V780-L805 HydrophobicContact CB-CD2 4.43Å; V780-L805 HydrophobicContact CG1-CD2 4.12Å; L805-G835 PolarHBondContact N-O 3.33Å; L805-I837 HydrophobicContact CD2-CB 4.35Å; L805-I837 HydrophobicContact CD2-CG2 3.9Å; L805-I837 HydrophobicContact CG-CG2 4.43Å |
| 806 | G | 82.9 | Confident | 71.7 | Confident | 21 Ų | 21 | 56.4 Ų | 56.4 | 22% | 0.216 | 31% | 0.312 | C | S | . | . | B | Isolated β-bridge | trans | -81.4 | 167.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G778 H779 | G778-G806 VanDerWaalsContact CA-O 3.27Å; G778-G806 WeakPolarHBondContact CA-O 3.28Å; H779-G806 PolarHBondContact N-O 3.13Å; H779-G806 PolarHBondContact O-N 3.33Å |
| 807 | P | 80.6 | Confident | 70.4 | Confident | 43 Ų | 43 | 58.5 Ų | 58.5 | 28% | 0.279 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 138 | 172.4 | 24.5 | -33.7 | 0 | 0 | 0 | 111.2 | H779 Y834 | H779-P807 PolarHBondContact CD2-O 3.2Å; H779-P807 PolarHBondContact NE2-O 3.42Å; P807-Y834 VanDerWaalsContact CA-CD2 3.49Å; P807-Y834 HydrophobicContact CB-CD2 3.96Å; P807-Y834 HydrophobicContact CB-CE1 4.32Å; P807-Y834 HydrophobicContact CB-CE2 3.45Å; P807-Y834 VanDerWaalsContact CB-CE2 3.45Å; P807-Y834 HydrophobicContact CG-CE2 4.32Å |
| 808 | P | 76.7 | Confident | 69 | Low | 27 Ų | 27 | 58 Ų | 58 | 18% | 0.175 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 164.8 | 158.9 | 30.8 | -34.9 | 0 | 0 | 0 | 110 | E363 C776 Y834 | E363-P808 VanDerWaalsContact OE2-CB 3.29Å; E363-P808 WeakPolarHBondContact OE2-CB 3.08Å; C776-P808 HydrophobicContact CB-CB 3.87Å; P808-Y834 HydrophobicContact CG-CE1 4.37Å |
| 809 | E | 67.1 | Low | 67.8 | Low | 94 Ų | 94 | 54.8 Ų | 54.8 | 44% | 0.439 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 140.6 | 176.9 | -73.6 | -175 | -150.6 | 0 | 0 | 109.9 | E363 K811 | E363-E809 HydrophobicContact CB-CB 4.04Å; E363-E809 HydrophobicContact CB-CG 3.8Å; E363-E809 PolarHBondContact N-OE1 2.89Å; E363-E809 PolarHBondContact OE2-N 2.84Å; E809-K811 PolarHBondContact O-N 3.44Å |
| 810 | P | 54.5 | Low | 66.7 | Low | 124 Ų | 124 | 58.9 Ų | 58.9 | 81% | 0.805 | 32% | 0.322 | S | S | * | . | trans | -76.4 | 65.7 | -162.9 | 31 | -37.5 | 0 | 0 | 0 | 113.5 | A812 | P810-A812 PolarHBondContact O-N 2.82Š| ||
| 811 | K | 52.3 | Low | 65.4 | Low | 86 Ų | 86 | 62.8 Ų | 62.8 | 37% | 0.374 | 34% | 0.344 | S | S | . | . | trans | -53.7 | 121.1 | 169.7 | -71.3 | 172.8 | 173.9 | 169.8 | 0 | 108.6 | E363 E809 N813 | E363-K811 VanDerWaalsContact OE1-CE 3.29Å; E363-K811 WeakPolarHBondContact OE1-CE 3.32Å; E363-K811 IonicContact OE1-NZ 3.16Å; E363-K811 PolarHBondContact OE1-NZ 2.77Å; E809-K811 PolarHBondContact O-N 3.44Å; K811-N813 WeakPolarHBondContact CB-OD1 3.43Å; K811-N813 PolarHBondContact O-N 3.03Å; K811-N813 PolarHBondContact O-OD1 3.37Å | ||
| 812 | A | 45.2 | Very low | 64.5 | Low | 39 Ų | 39 | 63.2 Ų | 63.2 | 32% | 0.322 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | 1.9 | -159.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | P810 R1065 | P810-A812 PolarHBondContact O-N 2.82Å; A812-R1065 PolarHBondContact O-NH1 2.97Å; A812-R1065 VanDerWaalsContact O-NH1 3.14Å |
| 813 | N | 45.6 | Very low | 63.6 | Low | 76 Ų | 76 | 61.6 Ų | 61.6 | 41% | 0.406 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | -5.6 | -164.4 | 59 | -27 | 0 | 0 | 0 | 115.6 | K811 | K811-N813 WeakPolarHBondContact CB-OD1 3.43Å; K811-N813 PolarHBondContact O-N 3.03Å; K811-N813 PolarHBondContact O-OD1 3.37Å |
| 814 | V | 45.4 | Very low | 62.9 | Low | 48 Ų | 48 | 66 Ų | 66 | 29% | 0.291 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.9 | -46.4 | -174.6 | -172 | 0 | 0 | 0 | 0 | 116.3 | R816 | V814-R816 PolarHBondContact O-N 3.17Š|
| 815 | S | 45.4 | Very low | 62.5 | Low | 43 Ų | 43 | 64.3 Ų | 64.3 | 30% | 0.301 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -35.5 | -164.6 | 106.1 | 0 | 0 | 0 | 0 | 115.4 | T817 E830 | S815-T817 PolarHBondContact O-N 3.02Å; S815-E830 WeakPolarHBondContact CB-OE1 3.35Å; S815-E830 PolarHBondContact OG-OE1 3.47Å |
| 816 | R | 50.4 | Low | 61.9 | Low | 97 Ų | 97 | 66.9 Ų | 66.9 | 37% | 0.366 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -21.6 | -156.9 | -64.2 | -176.1 | -179.2 | 155.2 | 3 | 116.5 | V814 | V814-R816 PolarHBondContact O-N 3.17Š|
| 817 | T | 52.6 | Low | 61.5 | Low | 114 Ų | 114 | 67.6 Ų | 67.6 | 70% | 0.699 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -37.9 | -173.2 | -54.7 | 0 | 0 | 0 | 0 | 113.1 | S815 R820 | S815-T817 PolarHBondContact O-N 3.02Å; T817-R820 VanDerWaalsContact O-CB 3.29Å; T817-R820 WeakPolarHBondContact O-CB 3.44Å |
| 818 | A | 54.8 | Low | 61.6 | Low | 37 Ų | 37 | 67.2 Ų | 67.2 | 31% | 0.306 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -40.7 | -163.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | F339 R820 | F339-A818 HydrophobicContact CZ-CB 3.73Å; A818-R820 PolarHBondContact O-N 3.43Å |
| 819 | L | 61.8 | Low | 61.6 | Low | 7 Ų | 7 | 68.2 Ų | 68.2 | 4% | 0.037 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -2.5 | 176.9 | -62.6 | 173.5 | 0 | 0 | 0 | 113 | F339 N821 L822 S823 F828 E830 C833 | F339-L819 HydrophobicContact CD1-CD1 4.36Å; F339-L819 HydrophobicContact CD1-CD2 4.47Å; F339-L819 HydrophobicContact CD1-CG 4.5Å; F339-L819 HydrophobicContact CE1-CD1 3.74Å; F339-L819 HydrophobicContact CE1-CD2 3.74Å; F339-L819 HydrophobicContact CE1-CG 3.54Å; F339-L819 HydrophobicContact CE2-CD2 3.8Å; F339-L819 HydrophobicContact CE2-CG 4.43Å; F339-L819 HydrophobicContact CZ-CD1 4.19Å; F339-L819 HydrophobicContact CZ-CD2 3.32Å; F339-L819 HydrophobicContact CZ-CG 3.47Å; F339-L819 VanDerWaalsContact CZ-CG 3.47Å; L819-N821 PolarHBondContact O-N 2.91Å; L819-N821 VanDerWaalsContact O-N 3.08Å; L819-L822 HydrophobicContact CD2-CD1 4.43Å; L819-L822 PolarHBondContact O-N 3.08Å; L819-S823 PolarHBondContact O-N 3.25Å; L819-S823 PolarHBondContact O-OG 2.63Å; L819-F828 HydrophobicContact CB-CE1 4.35Å; L819-F828 HydrophobicContact CB-CZ 4.1Å; L819-F828 HydrophobicContact CD1-CZ 4.09Å; L819-F828 HydrophobicContact CD2-CZ 4.02Å; L819-F828 HydrophobicContact CG-CZ 4.28Å; L819-E830 HydrophobicContact CD1-CB 4.4Å; L819-E830 HydrophobicContact CD1-CG 3.69Å; L819-C833 HydrophobicContact CD1-CB 4.32Å |
| 820 | R | 62.7 | Low | 62.1 | Low | 111 Ų | 111 | 67.1 Ų | 67.1 | 42% | 0.419 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -24.4 | -175.7 | -166.5 | 174.1 | -174.6 | 121 | 2.6 | 114.4 | T817 A818 S823 E1058 | T817-R820 VanDerWaalsContact O-CB 3.29Å; T817-R820 WeakPolarHBondContact O-CB 3.44Å; A818-R820 PolarHBondContact O-N 3.43Å; R820-S823 PolarHBondContact O-OG 2.84Å; R820-E1058 IonicContact NH1-OE2 2.72Å; R820-E1058 PolarHBondContact NH1-OE2 3.35Å; R820-E1058 VanDerWaalsContact NH1-OE2 3.08Å |
| 821 | N | 62.4 | Low | 63.1 | Low | 131 Ų | 131 | 68.1 Ų | 68.1 | 70% | 0.701 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -51.8 | 171.2 | -69.2 | -29.6 | 0 | 0 | 0 | 110.9 | L819 T824 H825 | L819-N821 PolarHBondContact O-N 2.91Å; L819-N821 VanDerWaalsContact O-N 3.08Å; N821-T824 PolarHBondContact O-N 3.43Å; N821-T824 PolarHBondContact O-OG1 3.46Å; N821-H825 PolarHBondContact O-CD2 3.01Å |
| 822 | L | 67.4 | Low | 64.3 | Low | 43 Ų | 43 | 64.6 Ų | 64.6 | 23% | 0.225 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -71 | -32.1 | -176.3 | -63.4 | 177.5 | 0 | 0 | 0 | 112.9 | P241 L819 T824 H825 F828 | P241-L822 HydrophobicContact CG-CD1 3.99Å; L819-L822 HydrophobicContact CD2-CD1 4.43Å; L819-L822 PolarHBondContact O-N 3.08Å; L822-T824 PolarHBondContact O-N 3.31Å; L822-T824 VanDerWaalsContact O-N 3.15Å; L822-H825 WeakPolarHBondContact O-CB 3.47Å; L822-H825 PolarHBondContact O-N 3.49Å; L822-F828 HydrophobicContact CB-CD2 3.68Å; L822-F828 HydrophobicContact CB-CE2 3.6Å; L822-F828 HydrophobicContact CB-CG 4.25Å; L822-F828 HydrophobicContact CB-CZ 4.1Å; L822-F828 HydrophobicContact CD1-CE2 4.03Å; L822-F828 HydrophobicContact CG-CE2 4.47Å; L822-F828 WeakPolarHBondContact O-CB 3.18Å |
| 823 | S | 68.8 | Low | 65.9 | Low | 70 Ų | 70 | 62.7 Ų | 62.7 | 49% | 0.49 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -64.9 | -16.4 | 177.7 | 68.3 | 0 | 0 | 0 | 0 | 114.1 | L819 R820 H825 | L819-S823 PolarHBondContact O-N 3.25Å; L819-S823 PolarHBondContact O-OG 2.63Å; R820-S823 PolarHBondContact O-OG 2.84Å; S823-H825 VanDerWaalsContact C-N 3.26Å; S823-H825 PolarHBondContact O-N 2.92Å |
| 824 | T | 71.5 | Confident | 67.7 | Low | 108 Ų | 108 | 60.1 Ų | 60.1 | 66% | 0.663 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -72.8 | -17.2 | 170.1 | 69.6 | 0 | 0 | 0 | 0 | 113.6 | N821 L822 | N821-T824 PolarHBondContact O-N 3.43Å; N821-T824 PolarHBondContact O-OG1 3.46Å; L822-T824 PolarHBondContact O-N 3.31Å; L822-T824 VanDerWaalsContact O-N 3.15Å |
| 825 | H | 76.9 | Confident | 69.6 | Low | 30 Ų | 30 | 58 Ų | 58 | 14% | 0.139 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -88 | 122 | -177.8 | -68.7 | -92.4 | 0 | 0 | 0 | 112 | P290 Y292 I294 N821 L822 S823 G827 F828 | P290-H825 PolarHBondContact O-CE1 3.09Å; Y292-H825 AromaticContact CD1-CE1 3.31Å; Y292-H825 WeakPolarHBondContact CD1-CE1 3.29Å; Y292-H825 AromaticContact CD1-ND1 3.56Å; Y292-H825 AromaticContact CD2-ND1 3.8Å; Y292-H825 AromaticContact CE1-CE1 3.14Å; Y292-H825 WeakPolarHBondContact CE1-CE1 3.48Å; Y292-H825 AromaticContact CE1-ND1 3.55Å; Y292-H825 AromaticContact CE1-NE2 3.75Å; Y292-H825 AromaticContact CE2-ND1 3.8Å; Y292-H825 AromaticContact CG-CE1 3.92Å; Y292-H825 AromaticContact CG-ND1 3.68Å; Y292-H825 AromaticContact CZ-CE1 3.64Å; Y292-H825 AromaticContact CZ-ND1 3.66Å; Y292-H825 PolarHBondContact O-ND1 3.01Å; I294-H825 HydrophobicContact CD1-CB 4.12Å; I294-H825 HydrophobicContact CG1-CB 4.38Å; N821-H825 PolarHBondContact O-CD2 3.01Å; L822-H825 WeakPolarHBondContact O-CB 3.47Å; L822-H825 PolarHBondContact O-N 3.49Å; S823-H825 VanDerWaalsContact C-N 3.26Å; S823-H825 PolarHBondContact O-N 2.92Å; H825-G827 PolarHBondContact O-N 3.41Å; H825-F828 VanDerWaalsContact O-CB 3.31Å; H825-F828 WeakPolarHBondContact O-CB 3.46Å; H825-F828 PolarHBondContact O-N 3.49Å; H825-F828 VanDerWaalsContact O-N 3.12Å |
| 826 | K | 75.9 | Confident | 71.7 | Confident | 55 Ų | 55 | 56.2 Ų | 56.2 | 24% | 0.239 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 127 | 174.6 | -68.3 | -179.5 | 85.3 | 172.4 | 0 | 109.9 | E143 E146 K286 K293 I294 | E143-K826 IonicContact OE1-NZ 2.76Å; E143-K826 IonicContact OE2-NZ 2.72Å; E143-K826 PolarHBondContact OE2-NZ 3.22Å; E146-K826 IonicContact OE1-NZ 2.65Å; E146-K826 PolarHBondContact OE1-NZ 3.03Å; E146-K826 WeakPolarHBondContact OE2-CE 2.92Å; E146-K826 IonicContact OE2-NZ 2.72Å; E146-K826 PolarHBondContact OE2-NZ 3.07Å; K286-K826 HydrophobicContact CD-CD 4.04Å; K293-K826 HydrophobicContact CD-CB 4.4Å; K293-K826 HydrophobicContact CG-CB 3.99Å; K293-K826 WeakPolarHBondContact CG-O 3.03Å; I294-K826 PolarHBondContact N-O 2.66Å |
| 827 | G | 74.4 | Confident | 73.6 | Confident | 37 Ų | 37 | 51.6 Ų | 51.6 | 38% | 0.381 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.7 | -6.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | I294 Y296 H825 | I294-G827 WeakPolarHBondContact CG2-O 3.47Å; Y296-G827 VanDerWaalsContact CE2-O 3.32Å; Y296-G827 WeakPolarHBondContact CE2-O 3.39Å; Y296-G827 PolarHBondContact OH-O 3.36Å; H825-G827 PolarHBondContact O-N 3.41Å |
| 828 | F | 81.1 | Confident | 75.4 | Confident | 34 Ų | 34 | 46.3 Ų | 46.3 | 15% | 0.149 | 25% | 0.247 | C | C | . | . | trans | -59.7 | 147.1 | 167.5 | -176.7 | -106.6 | 0 | 0 | 0 | 111.7 | P241 F242 I294 L819 L822 H825 E830 C833 | P241-F828 HydrophobicContact CG-CE2 4.14Å; F242-F828 HydrophobicContact CE1-CD2 4.09Å; F242-F828 HydrophobicContact CE1-CE2 4.04Å; F242-F828 HydrophobicContact CZ-CD2 4.13Å; I294-F828 HydrophobicContact CD1-CB 4.05Å; I294-F828 HydrophobicContact CD1-CD2 4.16Å; L819-F828 HydrophobicContact CB-CE1 4.35Å; L819-F828 HydrophobicContact CB-CZ 4.1Å; L819-F828 HydrophobicContact CD1-CZ 4.09Å; L819-F828 HydrophobicContact CD2-CZ 4.02Å; L819-F828 HydrophobicContact CG-CZ 4.28Å; L822-F828 HydrophobicContact CB-CD2 3.68Å; L822-F828 HydrophobicContact CB-CE2 3.6Å; L822-F828 HydrophobicContact CB-CG 4.25Å; L822-F828 HydrophobicContact CB-CZ 4.1Å; L822-F828 HydrophobicContact CD1-CE2 4.03Å; L822-F828 HydrophobicContact CG-CE2 4.47Å; L822-F828 WeakPolarHBondContact O-CB 3.18Å; H825-F828 VanDerWaalsContact O-CB 3.31Å; H825-F828 WeakPolarHBondContact O-CB 3.46Å; H825-F828 PolarHBondContact O-N 3.49Å; H825-F828 VanDerWaalsContact O-N 3.12Å; F828-E830 HydrophobicContact CE1-CB 4.07Å; F828-C833 VanDerWaalsContact CZ-SG 3.58Å | ||
| 829 | N | 76.9 | Confident | 77.2 | Confident | 49 Ų | 49 | 44.5 Ų | 44.5 | 26% | 0.262 | 23% | 0.233 | S | C | . | . | trans | -142.9 | 113.2 | 173.5 | -177.3 | 4.3 | 0 | 0 | 0 | 109.6 | F242 K831 L832 | F242-N829 WeakPolarHBondContact CE1-O 3.42Å; N829-K831 VanDerWaalsContact C-N 3.27Å; N829-K831 PolarHBondContact O-N 2.93Å; N829-K831 WeakPolarHBondContact OD1-CB 3.42Å; N829-K831 PolarHBondContact OD1-N 3.32Å; N829-K831 VanDerWaalsContact OD1-N 3.15Å; N829-L832 HydrophobicContact CB-CD1 4.16Å; N829-L832 HydrophobicContact CB-CG 4.29Å; N829-L832 PolarHBondContact O-N 3.24Å | ||
| 830 | E | 77.3 | Confident | 78.6 | Confident | 71 Ų | 71 | 45.1 Ų | 45.1 | 33% | 0.332 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -59.6 | -36.8 | 179.7 | -179.8 | 161.7 | -171.1 | 0 | 0 | 111.7 | S815 L819 F828 L832 C833 Y834 | S815-E830 WeakPolarHBondContact CB-OE1 3.35Å; S815-E830 PolarHBondContact OG-OE1 3.47Å; L819-E830 HydrophobicContact CD1-CB 4.4Å; L819-E830 HydrophobicContact CD1-CG 3.69Å; F828-E830 HydrophobicContact CE1-CB 4.07Å; E830-L832 PolarHBondContact O-N 2.89Å; E830-C833 VanDerWaalsContact O-CB 3.28Å; E830-C833 WeakPolarHBondContact O-CB 3.13Å; E830-C833 PolarHBondContact O-N 2.83Å; E830-C833 PolarHBondContact O-SG 2.89Å; E830-Y834 WeakPolarHBondContact O-CE2 3.07Å |
| 831 | K | 77.2 | Confident | 80.1 | Confident | 145 Ų | 145 | 39.8 Ų | 39.8 | 63% | 0.63 | 22% | 0.216 | S | C | * | . | G | 310 helix | trans | -61.2 | -12.8 | -179.4 | -61.2 | -167.4 | 176.7 | -168.3 | 0 | 115.1 | N829 | N829-K831 VanDerWaalsContact C-N 3.27Å; N829-K831 PolarHBondContact O-N 2.93Å; N829-K831 WeakPolarHBondContact OD1-CB 3.42Å; N829-K831 PolarHBondContact OD1-N 3.32Å; N829-K831 VanDerWaalsContact OD1-N 3.15Å |
| 832 | L | 76.9 | Confident | 81.4 | Confident | 11 Ų | 11 | 34.8 Ų | 34.8 | 6% | 0.058 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -99.3 | 3 | 178.5 | -62.3 | 178.4 | 0 | 0 | 0 | 113.4 | F242 Y296 Q303 N829 E830 | F242-L832 HydrophobicContact CB-CB 4.05Å; F242-L832 HydrophobicContact CD1-CB 3.42Å; F242-L832 VanDerWaalsContact CD1-CB 3.42Å; F242-L832 HydrophobicContact CD1-CD1 4.44Å; F242-L832 HydrophobicContact CE1-CB 4.08Å; F242-L832 HydrophobicContact CG-CB 3.83Å; F242-L832 HydrophobicContact CG-CD1 4.36Å; Y296-L832 HydrophobicContact CE1-CD1 3.59Å; Q303-L832 HydrophobicContact CB-CD1 4.12Å; Q303-L832 HydrophobicContact CB-CD2 3.98Å; N829-L832 HydrophobicContact CB-CD1 4.16Å; N829-L832 HydrophobicContact CB-CG 4.29Å; N829-L832 PolarHBondContact O-N 3.24Å; E830-L832 PolarHBondContact O-N 2.89Å |
| 833 | C | 79.4 | Confident | 82.4 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -88.4 | -6.5 | -172 | -64.9 | 0 | 0 | 0 | 0 | 114.9 | F339 Y344 L819 F828 E830 G835 | F339-C833 WeakPolarHBondContact CB-O 3.45Å; Y344-C833 WeakPolarHBondContact OH-CB 3.2Å; Y344-C833 PolarHBondContact OH-O 3.38Å; L819-C833 HydrophobicContact CD1-CB 4.32Å; F828-C833 VanDerWaalsContact CZ-SG 3.58Å; E830-C833 VanDerWaalsContact O-CB 3.28Å; E830-C833 WeakPolarHBondContact O-CB 3.13Å; E830-C833 PolarHBondContact O-N 2.83Å; E830-C833 PolarHBondContact O-SG 2.89Å; C833-G835 VanDerWaalsContact C-N 3.31Å; C833-G835 PolarHBondContact O-N 3.02Å | ||
| 834 | Y | 81.8 | Confident | 83.1 | Confident | 22 Ų | 22 | 33 Ų | 33 | 9% | 0.086 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -88.4 | 5.7 | -167.2 | -57.2 | -82.4 | 0 | 0 | 0 | 114.7 | L777 P807 P808 E830 | L777-Y834 WeakPolarHBondContact O-CD1 3.38Å; P807-Y834 VanDerWaalsContact CA-CD2 3.49Å; P807-Y834 HydrophobicContact CB-CD2 3.96Å; P807-Y834 HydrophobicContact CB-CE1 4.32Å; P807-Y834 HydrophobicContact CB-CE2 3.45Å; P807-Y834 VanDerWaalsContact CB-CE2 3.45Å; P807-Y834 HydrophobicContact CG-CE2 4.32Å; P808-Y834 HydrophobicContact CG-CE1 4.37Å; E830-Y834 WeakPolarHBondContact O-CE2 3.07Å |
| 835 | G | 86.9 | Confident | 83.2 | Confident | 3 Ų | 3 | 31 Ų | 31 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | trans | 86 | -167.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | S336 R337 L805 C833 | S336-G835 VanDerWaalsContact O-CA 3.26Å; S336-G835 WeakPolarHBondContact O-CA 3.1Å; R337-G835 WeakPolarHBondContact O-CA 3.25Å; L805-G835 PolarHBondContact N-O 3.33Å; C833-G835 VanDerWaalsContact C-N 3.31Å; C833-G835 PolarHBondContact O-N 3.02Å | ||
| 836 | D | 88.1 | Confident | 82.2 | Confident | 6 Ų | 6 | 39.6 Ų | 39.6 | 3% | 0.032 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 158.2 | 177.2 | -24.9 | -92.7 | 0 | 0 | 0 | 110.9 | C335 S336 R337 I802 F803 R804 | C335-D836 CarbonylContact C-O 3.5Å; C335-D836 WeakPolarHBondContact CA-O 3.44Å; S336-D836 PolarHBondContact N-O 2.83Å; S336-D836 PolarHBondContact O-N 2.86Å; R337-D836 IonicContact CZ-OD1 3.69Å; R337-D836 IonicContact CZ-OD2 2.68Å; R337-D836 IonicContact NE-OD2 3.48Å; R337-D836 PolarHBondContact NE-OD2 2.77Å; R337-D836 IonicContact NH2-OD1 3.36Å; R337-D836 PolarHBondContact NH2-OD1 3.19Å; R337-D836 IonicContact NH2-OD2 3.17Å; R337-D836 PolarHBondContact NH2-OD2 3Å; I802-D836 HydrophobicContact CG2-CB 3.73Å; F803-D836 CarbonylContact O-C 3.56Å; F803-D836 VanDerWaalsContact O-CA 3.22Å; F803-D836 WeakPolarHBondContact O-CA 3.35Å; F803-D836 WeakPolarHBondContact O-CB 3.14Å; R804-D836 IonicContact CZ-OD1 2.66Å; R804-D836 IonicContact NE-OD1 2.72Å; R804-D836 IonicContact NH2-OD1 3.12Å; R804-D836 PolarHBondContact NH2-OD1 2.95Å |
| 837 | I | 90.6 | Very high | 80.9 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 136.3 | 176.6 | -165.4 | 171.2 | 0 | 0 | 0 | 110.2 | L332 C335 V761 L763 V780 F803 L805 L839 | L332-I837 HydrophobicContact CD1-CD1 3.67Å; L332-I837 HydrophobicContact CD1-CG1 3.82Å; C335-I837 HydrophobicContact CB-CB 4.45Å; C335-I837 HydrophobicContact CB-CG1 4.23Å; V761-I837 HydrophobicContact CG1-CD1 3.75Å; V761-I837 HydrophobicContact CG1-CG2 4.38Å; L763-I837 HydrophobicContact CD1-CD1 4.44Å; L763-I837 HydrophobicContact CD2-CD1 3.84Å; L763-I837 HydrophobicContact CG-CD1 4.17Å; V780-I837 HydrophobicContact CG1-CG2 4.38Å; F803-I837 HydrophobicContact CB-CG2 4.17Å; F803-I837 PolarHBondContact N-O 2.66Å; F803-I837 PolarHBondContact O-N 3.33Å; L805-I837 HydrophobicContact CD2-CB 4.35Å; L805-I837 HydrophobicContact CD2-CG2 3.9Å; L805-I837 HydrophobicContact CG-CG2 4.43Å; I837-L839 HydrophobicContact CD1-CD2 4.24Å; I837-L839 HydrophobicContact CG1-CD2 4.24Å; I837-L839 HydrophobicContact CG1-CG 4.49Å |
| 838 | T | 91.2 | Very high | 79.2 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.012 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 119.7 | 180 | -55.8 | 0 | 0 | 0 | 0 | 109.2 | I333 E334 Q800 S801 I802 | I333-T838 HydrophobicContact CB-CG2 4.34Å; I333-T838 HydrophobicContact CD1-CG2 4.44Å; I333-T838 PolarHBondContact N-O 2.88Å; I333-T838 VanDerWaalsContact N-O 3.17Å; E334-T838 HydrophobicContact CG-CG2 4.14Å; E334-T838 WeakPolarHBondContact CG-OG1 3.2Å; E334-T838 PolarHBondContact O-N 2.75Å; E334-T838 PolarHBondContact OE1-OG1 3.5Å; Q800-T838 HydrophobicContact CG-CG2 4.21Å; S801-T838 WeakPolarHBondContact O-CA 3.5Å; I802-T838 HydrophobicContact CG1-CG2 4.12Å |
| 839 | L | 92 | Very high | 77.2 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 149.9 | -177.8 | -59.3 | 174.7 | 0 | 0 | 0 | 109.7 | T331 L332 V761 L782 Q800 S801 F803 I837 F841 | T331-L839 WeakPolarHBondContact O-CA 3.42Å; L332-L839 HydrophobicContact CB-CD2 4.34Å; L332-L839 HydrophobicContact CD1-CD2 3.71Å; V761-L839 HydrophobicContact CG1-CD1 4.28Å; V761-L839 HydrophobicContact CG2-CD1 3.96Å; L782-L839 HydrophobicContact CD1-CD1 3.93Å; Q800-L839 WeakPolarHBondContact CA-O 3.27Å; S801-L839 PolarHBondContact N-O 3.02Å; S801-L839 PolarHBondContact O-N 3.25Å; F803-L839 HydrophobicContact CD2-CB 4.37Å; F803-L839 HydrophobicContact CD2-CD1 4.2Å; F803-L839 HydrophobicContact CD2-CG 4.4Å; F803-L839 HydrophobicContact CE2-CB 4.19Å; F803-L839 HydrophobicContact CE2-CD1 4.48Å; I837-L839 HydrophobicContact CD1-CD2 4.24Å; I837-L839 HydrophobicContact CG1-CD2 4.24Å; I837-L839 HydrophobicContact CG1-CG 4.49Å; L839-F841 HydrophobicContact CB-CE1 4.39Å; L839-F841 HydrophobicContact CB-CE2 4.05Å; L839-F841 HydrophobicContact CB-CZ 3.75Å; L839-F841 HydrophobicContact CD1-CE1 4.47Å; L839-F841 HydrophobicContact CD1-CZ 3.85Å; L839-F841 HydrophobicContact CG-CZ 4.47Å |
| 840 | N | 92.1 | Very high | 75.4 | Confident | 19 Ų | 19 | 58.1 Ų | 58.1 | 10% | 0.102 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 137.2 | 168.7 | -175.8 | 33.1 | 0 | 0 | 0 | 110.4 | V330 T331 I333 E798 Y799 Q800 | V330-N840 CarbonylContact C-O 3.58Å; V330-N840 WeakPolarHBondContact CA-O 3.41Å; T331-N840 PolarHBondContact N-O 2.85Å; T331-N840 PolarHBondContact O-N 2.6Å; I333-N840 HydrophobicContact CD1-CB 3.88Å; E798-N840 VanDerWaalsContact CG-OD1 3.3Å; E798-N840 WeakPolarHBondContact CG-OD1 3.24Å; E798-N840 PolarHBondContact OE1-ND2 3.06Å; Y799-N840 VanDerWaalsContact C-OD1 3.24Å; Y799-N840 PolarHBondContact O-OD1 3.3Å; Q800-N840 HydrophobicContact CB-CB 4.06Å; Q800-N840 HydrophobicContact CG-CB 4.18Å; Q800-N840 PolarHBondContact N-OD1 3.38Å |
| 841 | F | 92.6 | Very high | 73 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 137.7 | -178 | -58.2 | -68.7 | 0 | 0 | 0 | 109.3 | L328 R329 V330 L759 L782 V787 E798 Y799 F803 L839 | L328-F841 HydrophobicContact CD1-CB 4.11Å; L328-F841 HydrophobicContact CD1-CD1 4.31Å; R329-F841 CarbonylContact O-C 3.6Å; R329-F841 WeakPolarHBondContact O-CA 3.45Å; V330-F841 HydrophobicContact CB-CD1 4.45Å; V330-F841 HydrophobicContact CB-CE1 4.48Å; V330-F841 HydrophobicContact CG1-CD1 4.07Å; V330-F841 HydrophobicContact CG1-CE1 3.71Å; V330-F841 HydrophobicContact CG2-CD1 4.02Å; V330-F841 HydrophobicContact CG2-CE1 4.13Å; L759-F841 HydrophobicContact CD2-CE1 3.57Å; L759-F841 HydrophobicContact CD2-CZ 4.26Å; L782-F841 HydrophobicContact CD1-CE2 4.44Å; L782-F841 HydrophobicContact CD1-CZ 3.73Å; V787-F841 HydrophobicContact CG1-CB 3.68Å; V787-F841 HydrophobicContact CG1-CD1 3.81Å; V787-F841 HydrophobicContact CG1-CD2 3.77Å; V787-F841 HydrophobicContact CG1-CE1 4.43Å; V787-F841 HydrophobicContact CG1-CE2 4.38Å; V787-F841 HydrophobicContact CG1-CG 3.45Å; V787-F841 VanDerWaalsContact CG1-CG 3.45Å; V787-F841 HydrophobicContact CG2-CD2 4.44Å; V787-F841 HydrophobicContact CG2-CE2 4.29Å; V787-F841 HydrophobicContact CG2-CZ 4.45Å; E798-F841 CarbonylContact C-O 3.59Å; E798-F841 VanDerWaalsContact CA-O 3.25Å; E798-F841 WeakPolarHBondContact CA-O 3.26Å; Y799-F841 AromaticContact CD1-CD2 3.76Å; Y799-F841 HydrophobicContact CD1-CD2 3.76Å; Y799-F841 HydrophobicContact CD1-CE2 4.42Å; Y799-F841 HydrophobicContact CE1-CD2 4.37Å; Y799-F841 HydrophobicContact CG-CD2 4.48Å; Y799-F841 PolarHBondContact N-O 2.87Å; Y799-F841 VanDerWaalsContact O-CD2 3.27Å; Y799-F841 WeakPolarHBondContact O-CD2 3.4Å; Y799-F841 PolarHBondContact O-N 2.9Å; F803-F841 AromaticContact CE2-CE2 3.64Å; F803-F841 HydrophobicContact CE2-CE2 3.64Å; F803-F841 HydrophobicContact CE2-CZ 4.14Å; F803-F841 AromaticContact CZ-CE2 3.72Å; F803-F841 HydrophobicContact CZ-CE2 3.72Å; F803-F841 HydrophobicContact CZ-CZ 4.39Å; L839-F841 HydrophobicContact CB-CE1 4.39Å; L839-F841 HydrophobicContact CB-CE2 4.05Å; L839-F841 HydrophobicContact CB-CZ 3.75Å; L839-F841 HydrophobicContact CD1-CE1 4.47Å; L839-F841 HydrophobicContact CD1-CZ 3.85Å; L839-F841 HydrophobicContact CG-CZ 4.47Å |
| 842 | C | 90.8 | Very high | 71 | Confident | 25 Ų | 25 | 58.2 Ų | 58.2 | 17% | 0.169 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 120.3 | 172.9 | 174.3 | 0 | 0 | 0 | 0 | 110.1 | R329 S797 | R329-C842 HydrophobicContact CB-CB 4.25Å; R329-C842 WeakPolarHBondContact CB-O 3.45Å; R329-C842 PolarHBondContact N-O 2.88Å; R329-C842 PolarHBondContact O-N 2.84Å; S797-C842 VanDerWaalsContact O-CA 3.29Å; S797-C842 WeakPolarHBondContact O-CA 3.4Å |
| 843 | Y | 87.9 | Confident | 69.3 | Low | 32 Ų | 32 | 63.8 Ų | 63.8 | 13% | 0.125 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 119.1 | 171.3 | -87.9 | -90.5 | 0 | 0 | 0 | 109.6 | V324 L328 A788 C791 S797 | V324-Y843 WeakPolarHBondContact O-CE1 3.49Å; V324-Y843 PolarHBondContact O-OH 3.25Å; L328-Y843 HydrophobicContact CB-CE1 4.27Å; L328-Y843 HydrophobicContact CD1-CD2 3.92Å; L328-Y843 HydrophobicContact CD1-CE2 3.77Å; L328-Y843 HydrophobicContact CD1-CG 4.48Å; A788-Y843 HydrophobicContact CB-CE2 3.92Å; C791-Y843 HydrophobicContact CB-CD2 3.91Å; S797-Y843 WeakPolarHBondContact CB-O 3.28Å; S797-Y843 PolarHBondContact O-N 3.21Å; S797-Y843 VanDerWaalsContact O-N 3.11Å |
| 844 | L | 84.3 | Confident | 67.3 | Low | 45 Ų | 45 | 66.6 Ų | 66.6 | 24% | 0.236 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 134.9 | -178.5 | -56.9 | 174.6 | 0 | 0 | 0 | 110.7 | K327 R329 V749 | K327-L844 HydrophobicContact CB-CB 4.24Å; K327-L844 HydrophobicContact CB-CD1 4.41Å; K327-L844 PolarHBondContact O-N 2.86Å; R329-L844 HydrophobicContact CB-CD1 4.48Å; R329-L844 HydrophobicContact CB-CG 4.47Å; V749-L844 HydrophobicContact CG1-CD1 4.07Å; V749-L844 HydrophobicContact CG2-CD1 4.11Å |
| 845 | A | 73.1 | Confident | 65 | Low | 65 Ų | 65 | 72 Ų | 72 | 54% | 0.537 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 141 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | G847 E848 | A845-G847 PolarHBondContact O-N 2.99Å; A845-E848 HydrophobicContact CB-CG 4.42Å; A845-E848 PolarHBondContact O-N 2.97Å |
| 846 | E | 54.8 | Low | 62.4 | Low | 210 Ų | 210 | 79.6 Ų | 79.6 | 98% | 0.981 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | 95.2 | -178.8 | -169.1 | 170 | -134.1 | 0 | 0 | 111 | ||
| 847 | G | 49.2 | Very low | 59.9 | Low | 78 Ų | 78 | 87.3 Ų | 87.3 | 80% | 0.804 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 141.2 | -11.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115 | A845 | A845-G847 PolarHBondContact O-N 2.99Š|
| 848 | E | 39.4 | Very low | 57.2 | Low | 146 Ų | 146 | 97.8 Ų | 97.8 | 68% | 0.682 | 54% | 0.539 | S | S | * | . | trans | -76.5 | 129 | 176.1 | -66.4 | -165.5 | 139.9 | 0 | 0 | 112.3 | A845 | A845-E848 HydrophobicContact CB-CG 4.42Å; A845-E848 PolarHBondContact O-N 2.97Å | ||
| 849 | L | 38.7 | Very low | 54.3 | Low | 168 Ų | 168 | 106.4 Ų | 106.4 | 88% | 0.88 | 58% | 0.579 | S | S | * | * | trans | -70 | 147.2 | 171.3 | -84.5 | 159.8 | 0 | 0 | 0 | 110.9 | C851 | L849-C851 VanDerWaalsContact C-N 3.32Å; L849-C851 PolarHBondContact O-N 2.94Å | ||
| 850 | E | 38.8 | Very low | 51.5 | Low | 173 Ų | 173 | 115.7 Ų | 115.7 | 81% | 0.808 | 61% | 0.614 | S | S | * | * | trans | -65.3 | 86.1 | 175 | -66.5 | -166.8 | 142.6 | 0 | 0 | 111.9 | P852 | E850-P852 WeakPolarHBondContact O-CD 3.4Š| ||
| 851 | C | 28.3 | Very low | 48.5 | Very low | 103 Ų | 103 | 124.1 Ų | 124.1 | 70% | 0.696 | 65% | 0.653 | S | S | * | * | trans | -78 | 122.4 | 174.1 | -164.8 | 0 | 0 | 0 | 0 | 109.9 | L849 V853 | L849-C851 VanDerWaalsContact C-N 3.32Å; L849-C851 PolarHBondContact O-N 2.94Å; C851-V853 PolarHBondContact O-N 3.46Å | ||
| 852 | P | 34.2 | Very low | 45.5 | Very low | 114 Ų | 114 | 127.4 Ų | 127.4 | 74% | 0.74 | 69% | 0.687 | S | S | * | * | trans | -62.1 | 136.7 | 178.6 | -24.6 | 35.3 | 0 | 0 | 0 | 112.3 | E850 G854 | E850-P852 WeakPolarHBondContact O-CD 3.4Å; P852-G854 VanDerWaalsContact C-N 3.35Å; P852-G854 PolarHBondContact O-N 2.68Å | ||
| 853 | V | 41.1 | Very low | 42.5 | Very low | 129 Ų | 129 | 131.7 Ų | 131.7 | 78% | 0.782 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -71.5 | 87.8 | 179.9 | -175.5 | 0 | 0 | 0 | 0 | 109.9 | C851 | C851-V853 PolarHBondContact O-N 3.46Š|
| 854 | G | 38.1 | Very low | 39.8 | Very low | 59 Ų | 59 | 138.7 Ų | 138.7 | 61% | 0.608 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -161.6 | 6.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 117 | P852 | P852-G854 VanDerWaalsContact C-N 3.35Å; P852-G854 PolarHBondContact O-N 2.68Å |
| 855 | L | 32.3 | Very low | 37 | Very low | 136 Ų | 136 | 145.6 Ų | 145.6 | 71% | 0.712 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -119.1 | -36.3 | -179 | -152 | 71.5 | 0 | 0 | 0 | 114.6 | E857 R858 | L855-E857 VanDerWaalsContact C-N 3.33Å; L855-E857 PolarHBondContact O-N 3.05Å; L855-R858 PolarHBondContact O-N 3.46Å; L855-R858 VanDerWaalsContact O-N 3.17Å |
| 856 | I | 33.2 | Very low | 34.9 | Very low | 161 Ų | 161 | 149.5 Ų | 149.5 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | G | 310 helix | trans | -70.4 | -25.5 | -172.8 | -62.2 | 176.1 | 0 | 0 | 0 | 113 | R858 | I856-R858 PolarHBondContact O-N 2.7Š|
| 857 | E | 34.9 | Very low | 33.6 | Very low | 168 Ų | 168 | 146.6 Ų | 146.6 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | G | 310 helix | trans | -65.9 | -16.2 | 174.5 | -66.3 | -173.2 | 132.7 | 0 | 0 | 113.3 | L855 | L855-E857 VanDerWaalsContact C-N 3.33Å; L855-E857 PolarHBondContact O-N 3.05Å |
| 858 | R | 34.9 | Very low | 32.5 | Very low | 221 Ų | 221 | 150.7 Ų | 150.7 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | G | 310 helix | trans | -94.1 | -5.8 | -166.8 | -130.8 | 177.8 | -175.2 | -172 | -0.2 | 116.4 | L855 I856 | L855-R858 PolarHBondContact O-N 3.46Å; L855-R858 VanDerWaalsContact O-N 3.17Å; I856-R858 PolarHBondContact O-N 2.7Å |
| 859 | E | 29.1 | Very low | 32.1 | Very low | 183 Ų | 183 | 149 Ų | 149 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | G | 310 helix | trans | -100.8 | -0.3 | 177.4 | -63.4 | -167.6 | 136.9 | 0 | 0 | 113.4 | ||
| 860 | R | 35 | Very low | 31.6 | Very low | 195 Ų | 195 | 151.3 Ų | 151.3 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -90.8 | -4.7 | -174.9 | -145.2 | 171.1 | -165.5 | -169.8 | -0.9 | 115.4 | ||
| 861 | E | 28.8 | Very low | 31 | Very low | 196 Ų | 196 | 148.8 Ų | 148.8 | 92% | 0.916 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -126.2 | 54.9 | -174.2 | -163.6 | 167.9 | -135 | 0 | 0 | 111.3 | ||
| 862 | G | 29.8 | Very low | 30.8 | Very low | 69 Ų | 69 | 152 Ų | 152 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | trans | -161.4 | 37.2 | -167.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 863 | S | 27.7 | Very low | 30.2 | Very low | 114 Ų | 114 | 155.2 Ų | 155.2 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | trans | -156.1 | 51.5 | 172.7 | 51.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 864 | L | 29.9 | Very low | 29.5 | Very low | 180 Ų | 180 | 154.7 Ų | 154.7 | 94% | 0.942 | 78% | 0.775 | S | S | * | * | trans | -144.5 | 87.6 | 159.4 | -80.3 | -174.6 | 0 | 0 | 0 | 112.9 | ||||
| 865 | H | 25.9 | Very low | 28.8 | Very low | 190 Ų | 190 | 158.2 Ų | 158.2 | 88% | 0.88 | 79% | 0.785 | S | S | * | * | trans | -149.6 | 128.2 | 137.1 | -149.7 | -63.5 | 0 | 0 | 0 | 109.3 | ||||
| 866 | D | 28.4 | Very low | 28.6 | Very low | 147 Ų | 147 | 157.6 Ų | 157.6 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | trans | -84.4 | 163 | 175.4 | -159 | -165.7 | 0 | 0 | 0 | 110.5 | ||||
| 867 | E | 27.9 | Very low | 28 | Very low | 148 Ų | 148 | 156 Ų | 156 | 69% | 0.692 | 79% | 0.792 | S | S | * | * | trans | -71.9 | 143.3 | 174.5 | -81.8 | -155.7 | 94.5 | 0 | 0 | 112.2 | L869 | E867-L869 WeakPolarHBondContact OE1-CD2 3.48Š| ||
| 868 | D | 26 | Very low | 27.7 | Very low | 164 Ų | 164 | 152.4 Ų | 152.4 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | trans | -148.3 | 156.3 | 135.4 | -145.6 | -20.3 | 0 | 0 | 0 | 110.5 | ||||
| 869 | L | 30.4 | Very low | 27.6 | Very low | 112 Ų | 112 | 147.2 Ų | 147.2 | 59% | 0.586 | 79% | 0.786 | S | S | * | * | trans | -119.2 | 154.3 | -153 | -74.7 | 162.3 | 0 | 0 | 0 | 115.1 | E867 | E867-L869 WeakPolarHBondContact OE1-CD2 3.48Š| ||
| 870 | R | 28.3 | Very low | 27.5 | Very low | 215 Ų | 215 | 148.9 Ų | 148.9 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | trans | 85.4 | 152.2 | 160.7 | -46.2 | -165.3 | 175.4 | -136.5 | -2.6 | 116.9 | ||||
| 871 | E | 26.4 | Very low | 26.9 | Very low | 120 Ų | 120 | 145.2 Ų | 145.2 | 56% | 0.561 | 78% | 0.78 | S | S | * | * | cis | -150.6 | 139.3 | 4.8 | -140.5 | 170.7 | -126.1 | 0 | 0 | 115.4 | ||||
| 872 | K | 24.8 | Very low | 26.6 | Very low | 171 Ų | 171 | 143.4 Ų | 143.4 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | trans | 60.5 | 123.6 | 151.3 | -77.7 | 161.3 | -164.4 | 149.9 | 0 | 124.7 | ||||
| 873 | E | 20.3 | Very low | 26.8 | Very low | 182 Ų | 182 | 148.2 Ų | 148.2 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | trans | -24.7 | 173.2 | 142.7 | -73.6 | -162 | 132.6 | 0 | 0 | 121.1 | ||||
| 874 | P | 27.3 | Very low | 26.7 | Very low | 117 Ų | 117 | 147.7 Ų | 147.7 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | cis | -132 | 173.2 | 8.2 | 24.6 | -0.5 | 0 | 0 | 0 | 117.5 | ||||
| 875 | T | 22.5 | Very low | 26.7 | Very low | 133 Ų | 133 | 150.2 Ų | 150.2 | 82% | 0.816 | 79% | 0.786 | S | S | * | * | trans | -103.7 | 161 | 160.6 | 62.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 876 | P | 29.3 | Very low | 26.6 | Very low | 123 Ų | 123 | 146.8 Ų | 146.8 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | -159.4 | 143.5 | 93.5 | 38.3 | -18.2 | 0 | 0 | 0 | 118.2 | |||||
| 877 | S | 20.8 | Very low | 26.5 | Very low | 127 Ų | 127 | 145.2 Ų | 145.2 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | trans | -175.6 | 132.6 | 134.3 | 58.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 878 | A | 28.3 | Very low | 26.6 | Very low | 94 Ų | 94 | 146 Ų | 146 | 78% | 0.777 | 79% | 0.785 | S | S | * | * | trans | -96.3 | -167.1 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 879 | P | 33.4 | Very low | 26.8 | Very low | 111 Ų | 111 | 146.2 Ų | 146.2 | 72% | 0.721 | 78% | 0.781 | S | S | * | * | cis | -135.5 | 163.5 | -49.5 | 29.2 | -10.8 | 0 | 0 | 0 | 115.5 | ||||
| 880 | R | 25.9 | Very low | 26.9 | Very low | 218 Ų | 218 | 145.9 Ų | 145.9 | 82% | 0.823 | 79% | 0.788 | S | S | * | * | trans | 66.1 | 156.6 | 154 | -79.3 | -178.3 | 178.8 | -103.5 | 6.4 | 118.2 | ||||
| 881 | D | 22.2 | Very low | 27.4 | Very low | 119 Ų | 119 | 144.4 Ų | 144.4 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | cis | -139.9 | 167.6 | 5.5 | -108.3 | -33.9 | 0 | 0 | 0 | 112.3 | ||||
| 882 | D | 23.8 | Very low | 28.5 | Very low | 158 Ų | 158 | 145 Ų | 145 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | trans | 72 | 155.4 | 156.6 | -102.3 | -33.2 | 0 | 0 | 0 | 124.4 | ||||
| 883 | L | 34 | Very low | 30.6 | Very low | 170 Ų | 170 | 140.8 Ų | 140.8 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | trans | -103.3 | 143 | -168.6 | -77.3 | 152.5 | 0 | 0 | 0 | 113.7 | ||||
| 884 | A | 25.7 | Very low | 33.1 | Very low | 103 Ų | 103 | 140.1 Ų | 140.1 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | trans | -143.2 | 133.6 | 163.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 885 | Y | 28.4 | Very low | 35.5 | Very low | 232 Ų | 232 | 135.5 Ų | 135.5 | 91% | 0.91 | 74% | 0.739 | S | S | * | * | trans | -83.1 | 148.6 | -179.2 | -160.2 | -100 | 0 | 0 | 0 | 110.9 | ||||
| 886 | S | 23.8 | Very low | 38.4 | Very low | 119 Ų | 119 | 133.6 Ų | 133.6 | 83% | 0.832 | 72% | 0.724 | S | S | * | * | trans | -148.6 | 153.8 | 175.8 | -140.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 887 | T | 27.7 | Very low | 41.2 | Very low | 114 Ų | 114 | 128.6 Ų | 128.6 | 70% | 0.699 | 69% | 0.69 | S | S | * | * | trans | -101 | 135.5 | -151.1 | -56 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 888 | M | 30.1 | Very low | 44.2 | Very low | 165 Ų | 165 | 126.5 Ų | 126.5 | 81% | 0.813 | 67% | 0.665 | S | S | * | * | trans | -151.8 | 146.3 | 151.7 | -70.9 | -60.8 | 163.1 | 0 | 0 | 109 | ||||
| 889 | Q | 30.5 | Very low | 47 | Very low | 168 Ų | 168 | 126.1 Ų | 126.1 | 79% | 0.785 | 65% | 0.651 | S | S | * | * | cis | -160.9 | 155.5 | -29.2 | -161.8 | -179.5 | 109.8 | 0 | 0 | 107.6 | ||||
| 890 | S | 32.2 | Very low | 49.4 | Very low | 104 Ų | 104 | 122.5 Ų | 122.5 | 73% | 0.727 | 63% | 0.626 | S | S | * | * | trans | -129.2 | 143.3 | 170.2 | 55.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 891 | Q | 37.5 | Very low | 52 | Low | 184 Ų | 184 | 119.5 Ų | 119.5 | 86% | 0.86 | 62% | 0.622 | S | S | * | * | trans | -98 | 105.4 | -171.2 | -168.1 | 172.8 | 8.6 | 0 | 0 | 111.9 | V893 | Q891-V893 PolarHBondContact O-N 3.44Š| ||
| 892 | E | 49.2 | Very low | 54.7 | Low | 134 Ų | 134 | 115.5 Ų | 115.5 | 63% | 0.626 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 119.9 | -176.4 | -58.7 | -179.1 | 145.7 | 0 | 0 | 112.8 | F944 | E892-F944 HydrophobicContact CB-CD1 3.63Å; E892-F944 HydrophobicContact CB-CE1 3.77Å; E892-F944 HydrophobicContact CB-CG 4.32Å; E892-F944 WeakPolarHBondContact OE2-CZ 3.3Å |
| 893 | V | 69.6 | Low | 56.6 | Low | 82 Ų | 82 | 116.2 Ų | 116.2 | 50% | 0.497 | 60% | 0.597 | S | S | . | * | P | Polyproline II helix | trans | -89.2 | 125 | -179.9 | -175.3 | 0 | 0 | 0 | 0 | 110.8 | Q891 I925 C945 | Q891-V893 PolarHBondContact O-N 3.44Å; V893-I925 HydrophobicContact CG1-CD1 3.84Å; V893-I925 HydrophobicContact CG1-CG1 4.44Å; V893-I925 HydrophobicContact CG1-CG2 4.49Å; V893-C945 PolarHBondContact O-N 3.25Å |
| 894 | R | 73.9 | Confident | 58.1 | Low | 168 Ų | 168 | 114 Ų | 114 | 63% | 0.634 | 59% | 0.586 | S | S | * | * | B | Isolated β-bridge | trans | -79.5 | 150.4 | 177.9 | -70.6 | -176.5 | -177.8 | 130.5 | 5.1 | 112.9 | N896 I925 P943 F944 | R894-N896 PolarHBondContact O-N 3.18Å; R894-I925 WeakPolarHBondContact O-CD1 3.28Å; R894-P943 CarbonylContact C-O 3.51Å; R894-P943 VanDerWaalsContact CA-O 3.23Å; R894-P943 WeakPolarHBondContact CA-O 3.46Å; R894-P943 WeakPolarHBondContact CB-O 3.39Å; R894-F944 HydrophobicContact CG-CD1 3.52Å; R894-F944 HydrophobicContact CG-CE1 3.54Å |
| 895 | H | 76.5 | Confident | 60.2 | Low | 20 Ų | 20 | 113 Ų | 113 | 9% | 0.093 | 57% | 0.571 | C | S | . | * | P | Polyproline II helix | trans | -59.2 | 131.5 | 172.3 | -78.4 | -96.2 | 0 | 0 | 0 | 111.4 | F897 C926 L939 S942 P943 F944 C945 | H895-F897 HydrophobicContact CB-CD2 4.05Å; H895-F897 HydrophobicContact CB-CE2 3.49Å; H895-F897 VanDerWaalsContact CB-CE2 3.49Å; H895-F897 HydrophobicContact CB-CZ 4.06Å; H895-F897 AromaticContact CG-CE2 3.99Å; H895-F897 AromaticContact ND1-CZ 3.72Å; H895-C926 PolarHBondContact CE1-SG 2.85Å; H895-C926 PolarHBondContact ND1-SG 3.24Å; H895-C926 VanDerWaalsContact ND1-SG 3.43Å; H895-L939 HydrophobicContact CB-CD2 3.94Å; H895-L939 WeakPolarHBondContact O-CD2 3.29Å; H895-S942 PolarHBondContact CD2-O 2.62Å; H895-P943 PolarHBondContact N-O 2.66Å; H895-F944 PolarHBondContact CD2-O 2.85Å; H895-F944 PolarHBondContact NE2-O 3.46Å; H895-C945 VanDerWaalsContact CA-SG 3.59Å; H895-C945 VanDerWaalsContact CG-SG 3.58Å |
| 896 | N | 84.4 | Confident | 62.7 | Low | 92 Ų | 92 | 103.5 Ų | 103.5 | 49% | 0.492 | 54% | 0.537 | S | S | . | . | trans | -121.5 | 105.5 | 175.3 | -175.7 | -1.8 | 0 | 0 | 0 | 109.3 | R894 C923 I924 I925 | R894-N896 PolarHBondContact O-N 3.18Å; N896-C923 PolarHBondContact N-SG 2.92Å; N896-C923 CarbonylContact O-C 3.54Å; N896-C923 VanDerWaalsContact O-CA 3.27Å; N896-C923 WeakPolarHBondContact O-CA 2.93Å; N896-I924 HydrophobicContact CB-CD1 4.25Å; N896-I924 HydrophobicContact CB-CG1 3.91Å; N896-I924 PolarHBondContact O-N 3.04Å; N896-I925 HydrophobicContact CB-CD1 3.92Å | ||
| 897 | F | 87 | Confident | 65.6 | Low | 19 Ų | 19 | 105.2 Ų | 105.2 | 8% | 0.083 | 53% | 0.525 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 131.3 | -171 | -72.6 | -79.8 | 0 | 0 | 0 | 112.9 | H895 Q922 C923 Y928 Q935 C938 L939 | H895-F897 HydrophobicContact CB-CD2 4.05Å; H895-F897 HydrophobicContact CB-CE2 3.49Å; H895-F897 VanDerWaalsContact CB-CE2 3.49Å; H895-F897 HydrophobicContact CB-CZ 4.06Å; H895-F897 AromaticContact CG-CE2 3.99Å; H895-F897 AromaticContact ND1-CZ 3.72Å; F897-Q922 CarbonylContact C-O 3.57Å; F897-Q922 WeakPolarHBondContact CA-O 3.32Å; F897-C923 HydrophobicContact CD1-CB 3.98Å; F897-C923 HydrophobicContact CE1-CB 3.81Å; F897-C923 HydrophobicContact CZ-CB 4.32Å; F897-Y928 HydrophobicContact CE1-CD1 4.01Å; F897-Y928 HydrophobicContact CZ-CD1 4.04Å; F897-Q935 HydrophobicContact CB-CG 4.02Å; F897-Q935 HydrophobicContact CD2-CG 4.06Å; F897-Q935 HydrophobicContact CG-CG 4.14Å; F897-C938 HydrophobicContact CE2-CB 4.49Å; F897-C938 HydrophobicContact CZ-CB 4.42Å; F897-L939 HydrophobicContact CD2-CD1 4.27Å; F897-L939 HydrophobicContact CD2-CD2 3.92Å; F897-L939 HydrophobicContact CD2-CG 4.02Å; F897-L939 HydrophobicContact CE2-CD2 3.9Å; F897-L939 HydrophobicContact CE2-CG 4.05Å |
| 898 | H | 83.5 | Confident | 68.4 | Low | 82 Ų | 82 | 99.8 Ų | 99.8 | 38% | 0.38 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 145.7 | 171.8 | 74.1 | 104.4 | 0 | 0 | 0 | 111.6 | T900 S921 Q922 I924 | H898-T900 PolarHBondContact CE1-OG1 2.85Å; H898-T900 PolarHBondContact ND1-OG1 2.89Å; H898-T900 PolarHBondContact O-N 2.75Å; H898-S921 CarbonylContact O-C 3.51Å; H898-S921 WeakPolarHBondContact O-CA 3.44Å; H898-Q922 PolarHBondContact CD2-O 2.94Å; H898-Q922 PolarHBondContact N-O 3.22Å; H898-Q922 PolarHBondContact O-N 2.81Å; H898-I924 WeakPolarHBondContact CD2-CG2 3.31Å |
| 899 | D | 87.8 | Confident | 71 | Confident | 87 Ų | 87 | 95.6 Ų | 95.6 | 47% | 0.465 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 131.9 | 176.2 | -78 | -24.1 | 0 | 0 | 0 | 111.4 | S921 K932 | D899-S921 PolarHBondContact OD1-OG 2.87Å; D899-K932 WeakPolarHBondContact OD2-CD 3.15Å; D899-K932 WeakPolarHBondContact OD2-CE 3.21Å; D899-K932 IonicContact OD2-NZ 3.21Å; D899-K932 PolarHBondContact OD2-NZ 3.21Å |
| 900 | T | 83.2 | Confident | 73.5 | Confident | 34 Ų | 34 | 90.7 Ų | 90.7 | 21% | 0.209 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 139.1 | -176.2 | -57.5 | 0 | 0 | 0 | 0 | 110.3 | H898 F902 A919 A920 | H898-T900 PolarHBondContact CE1-OG1 2.85Å; H898-T900 PolarHBondContact ND1-OG1 2.89Å; H898-T900 PolarHBondContact O-N 2.75Å; T900-F902 HydrophobicContact CG2-CD2 4.47Å; T900-F902 HydrophobicContact CG2-CE1 4.07Å; T900-F902 HydrophobicContact CG2-CE2 3.94Å; T900-F902 HydrophobicContact CG2-CZ 3.72Å; T900-F902 WeakPolarHBondContact O-CE2 3.43Å; T900-A919 WeakPolarHBondContact O-CA 3.5Å; T900-A920 PolarHBondContact N-O 2.7Å; T900-A920 PolarHBondContact O-N 2.83Å |
| 901 | Q | 81.3 | Confident | 75.9 | Confident | 155 Ų | 155 | 87.7 Ų | 87.7 | 72% | 0.724 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 115.2 | 177 | -157.5 | 175.7 | 42.8 | 0 | 0 | 111.6 | K918 A919 | Q901-K918 CarbonylContact C-O 3.52Å; Q901-K918 WeakPolarHBondContact CA-O 3.48Å; Q901-K918 HydrophobicContact CG-CB 4.48Å; Q901-K918 WeakPolarHBondContact CG-O 3.39Å; Q901-A919 HydrophobicContact CG-CB 4.47Å |
| 902 | F | 78.1 | Confident | 78 | Confident | 35 Ų | 35 | 85.7 Ų | 85.7 | 15% | 0.154 | 41% | 0.412 | C | S | . | . | trans | -93.8 | 122.9 | -174.5 | -60 | -89.9 | 0 | 0 | 0 | 110.7 | T900 N904 T906 K918 A920 Q922 V929 | T900-F902 HydrophobicContact CG2-CD2 4.47Å; T900-F902 HydrophobicContact CG2-CE1 4.07Å; T900-F902 HydrophobicContact CG2-CE2 3.94Å; T900-F902 HydrophobicContact CG2-CZ 3.72Å; T900-F902 WeakPolarHBondContact O-CE2 3.43Å; F902-N904 WeakPolarHBondContact CB-O 3.44Å; F902-N904 PolarHBondContact O-N 3.21Å; F902-T906 VanDerWaalsContact CB-OG1 3.25Å; F902-T906 WeakPolarHBondContact CB-OG1 3.49Å; F902-T906 HydrophobicContact CD1-CG2 4.41Å; F902-T906 WeakPolarHBondContact CD1-OG1 3.11Å; F902-T906 HydrophobicContact CE1-CG2 4.48Å; F902-T906 WeakPolarHBondContact CG-OG1 3.34Å; F902-K918 PolarHBondContact N-O 2.59Å; F902-K918 WeakPolarHBondContact O-CB 3.47Å; F902-A920 HydrophobicContact CD2-CB 4.22Å; F902-A920 HydrophobicContact CE2-CB 3.78Å; F902-Q922 HydrophobicContact CZ-CB 4.33Å; F902-V929 HydrophobicContact CE1-CG2 4.42Å; F902-V929 HydrophobicContact CE2-CG1 3.98Å; F902-V929 HydrophobicContact CZ-CG1 3.87Å; F902-V929 HydrophobicContact CZ-CG2 4.01Å | ||
| 903 | Q | 65.3 | Low | 79.7 | Confident | 174 Ų | 174 | 86.3 Ų | 86.3 | 81% | 0.813 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -64.7 | -34.2 | 176.1 | -64.5 | -176.9 | -1 | 0 | 0 | 111.9 | K918 | Q903-K918 PolarHBondContact O-NZ 3Š|
| 904 | N | 63.9 | Low | 80.4 | Confident | 124 Ų | 124 | 85 Ų | 85 | 66% | 0.663 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -91.9 | 156.8 | 177.8 | -68.5 | -41.2 | 0 | 0 | 0 | 112.2 | F902 T906 | F902-N904 WeakPolarHBondContact CB-O 3.44Å; F902-N904 PolarHBondContact O-N 3.21Å; N904-T906 PolarHBondContact O-N 2.87Å; N904-T906 PolarHBondContact O-OG1 2.98Å |
| 905 | P | 71.1 | Confident | 80.8 | Confident | 81 Ų | 81 | 77.2 Ų | 77.2 | 53% | 0.526 | 37% | 0.371 | S | S | . | . | trans | -74.7 | 93.5 | 178.9 | 29.6 | -34.7 | 0 | 0 | 0 | 112.8 | ||||
| 906 | T | 80.2 | Confident | 80.5 | Confident | 33 Ų | 33 | 85.9 Ų | 85.9 | 20% | 0.202 | 40% | 0.403 | C | S | . | . | trans | -78.2 | 162.7 | 176.1 | -45.8 | 0 | 0 | 0 | 0 | 112.4 | F902 N904 V915 V929 | F902-T906 VanDerWaalsContact CB-OG1 3.25Å; F902-T906 WeakPolarHBondContact CB-OG1 3.49Å; F902-T906 HydrophobicContact CD1-CG2 4.41Å; F902-T906 WeakPolarHBondContact CD1-OG1 3.11Å; F902-T906 HydrophobicContact CE1-CG2 4.48Å; F902-T906 WeakPolarHBondContact CG-OG1 3.34Å; N904-T906 PolarHBondContact O-N 2.87Å; N904-T906 PolarHBondContact O-OG1 2.98Å; T906-V915 WeakPolarHBondContact O-CB 3.5Å; T906-V915 PolarHBondContact O-N 3.14Å; T906-V929 HydrophobicContact CG2-CB 4.35Å; T906-V929 HydrophobicContact CG2-CG1 3.91Å; T906-V929 HydrophobicContact CG2-CG2 4.44Å | ||
| 907 | W | 83.6 | Confident | 79.9 | Confident | 154 Ų | 154 | 86.5 Ų | 86.5 | 58% | 0.583 | 41% | 0.411 | S | S | * | . | B | Isolated β-bridge | trans | -119 | 146 | 176 | -62.4 | 75.5 | 0 | 0 | 0 | 110 | K914 | W907-K914 HydrophobicContact CD2-CB 4.05Å; W907-K914 HydrophobicContact CD2-CG 4.42Å; W907-K914 HydrophobicContact CE3-CB 3.87Å; W907-K914 VanDerWaalsContact CE3-N 3.29Å; W907-K914 HydrophobicContact CH2-CB 4.12Å; W907-K914 HydrophobicContact CZ2-CB 4.28Å; W907-K914 HydrophobicContact CZ2-CD 4.37Å; W907-K914 HydrophobicContact CZ2-CG 4.39Å; W907-K914 HydrophobicContact CZ3-CB 3.91Å |
| 908 | C | 87.8 | Confident | 79.2 | Confident | 1 Ų | 1 | 90.6 Ų | 90.6 | 1% | 0.007 | 43% | 0.429 | C | S | . | . | trans | -78.5 | 123.6 | 174.4 | 170.6 | 0 | 0 | 0 | 0 | 109.7 | Y910 C911 K912 K913 V929 C930 H931 | C908-Y910 VanDerWaalsContact C-N 3.35Å; C908-C911 PolarHBondContact SG-SG 2.84Å; C908-K912 WeakPolarHBondContact O-CA 3.41Å; C908-K912 PolarHBondContact O-N 2.76Å; C908-K913 WeakPolarHBondContact CB-O 3.27Å; C908-K913 PolarHBondContact N-O 3.33Å; C908-V929 CarbonylContact C-O 3.55Å; C908-V929 WeakPolarHBondContact CA-O 3.37Å; C908-C930 VanDerWaalsContact SG-CA 3.55Å; C908-H931 WeakPolarHBondContact CB-CE1 3.42Å; C908-H931 VanDerWaalsContact CB-ND1 3.26Å; C908-H931 WeakPolarHBondContact CB-ND1 3.25Å; C908-H931 PolarHBondContact SG-N 2.64Å | ||
| 909 | E | 83.7 | Confident | 79 | Confident | 77 Ų | 77 | 88.8 Ų | 88.8 | 36% | 0.36 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -21.1 | -176.9 | -68.6 | -178.1 | 97.2 | 0 | 0 | 113.6 | K912 Y928 V929 | E909-K912 VanDerWaalsContact O-CD 3.32Å; E909-K912 WeakPolarHBondContact O-CD 3.2Å; E909-K912 WeakPolarHBondContact O-CE 3.19Å; E909-K912 PolarHBondContact O-NZ 2.82Å; E909-Y928 VanDerWaalsContact C-OH 3.29Å; E909-Y928 HydrophobicContact CB-CD1 4.39Å; E909-Y928 HydrophobicContact CB-CD2 4.13Å; E909-Y928 HydrophobicContact CB-CE1 3.94Å; E909-Y928 HydrophobicContact CB-CE2 3.68Å; E909-Y928 HydrophobicContact CB-CG 4.49Å; E909-Y928 PolarHBondContact O-OH 3.31Å; E909-Y928 WeakPolarHBondContact OE2-CA 3.24Å; E909-V929 PolarHBondContact N-O 3.24Å; E909-V929 PolarHBondContact OE2-N 3.39Å |
| 910 | Y | 83.8 | Confident | 78.9 | Confident | 65 Ų | 65 | 84.6 Ų | 84.6 | 26% | 0.255 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -60.2 | 173.3 | 176.4 | -96 | 0 | 0 | 0 | 111.2 | C908 Y928 C934 K937 C938 E941 | C908-Y910 VanDerWaalsContact C-N 3.35Å; Y910-Y928 WeakPolarHBondContact CA-OH 3.35Å; Y910-Y928 PolarHBondContact N-OH 3.04Å; Y910-C934 HydrophobicContact CD1-CB 3.66Å; Y910-C934 HydrophobicContact CE1-CB 4.41Å; Y910-C934 HydrophobicContact CG-CB 4.21Å; Y910-K937 HydrophobicContact CE1-CB 4.09Å; Y910-K937 HydrophobicContact CE1-CD 4.26Å; Y910-K937 HydrophobicContact CE2-CB 4.27Å; Y910-C938 HydrophobicContact CD2-CB 4.22Å; Y910-E941 WeakPolarHBondContact CE2-OE2 3.48Å; Y910-E941 VanDerWaalsContact CZ-OE2 3.29Å; Y910-E941 VanDerWaalsContact OH-CD 3.25Å; Y910-E941 PolarHBondContact OH-OE1 2.65Å; Y910-E941 PolarHBondContact OH-OE2 3.45Å |
| 911 | C | 82.4 | Confident | 79.2 | Confident | 41 Ų | 41 | 83 Ų | 83 | 28% | 0.277 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 3.7 | -175 | 74.2 | 0 | 0 | 0 | 0 | 115 | C908 K913 H931 | C908-C911 PolarHBondContact SG-SG 2.84Å; C911-K913 PolarHBondContact O-N 2.7Å; C911-H931 VanDerWaalsContact SG-CE1 3.5Å; C911-H931 PolarHBondContact SG-ND1 3.21Å |
| 912 | K | 82.4 | Confident | 79.6 | Confident | 142 Ų | 142 | 77.5 Ų | 77.5 | 62% | 0.617 | 37% | 0.37 | S | S | * | . | trans | 52.3 | 19.9 | -177.3 | -52.5 | -55.5 | -174 | -165 | 0 | 115.6 | C908 E909 | C908-K912 WeakPolarHBondContact O-CA 3.41Å; C908-K912 PolarHBondContact O-N 2.76Å; E909-K912 VanDerWaalsContact O-CD 3.32Å; E909-K912 WeakPolarHBondContact O-CD 3.2Å; E909-K912 WeakPolarHBondContact O-CE 3.19Å; E909-K912 PolarHBondContact O-NZ 2.82Å | ||
| 913 | K | 83.8 | Confident | 80 | Confident | 146 Ų | 146 | 75.9 Ų | 75.9 | 64% | 0.635 | 36% | 0.363 | S | S | * | . | trans | -105 | 149.2 | 179.6 | -69.7 | 167.8 | -174.9 | 177.4 | 0 | 112.2 | C908 C911 H931 | C908-K913 WeakPolarHBondContact CB-O 3.27Å; C908-K913 PolarHBondContact N-O 3.33Å; C911-K913 PolarHBondContact O-N 2.7Å; K913-H931 PolarHBondContact O-CE1 2.86Å; K913-H931 VanDerWaalsContact O-CE1 3.27Å | ||
| 914 | K | 84.8 | Confident | 80.6 | Confident | 56 Ų | 56 | 72.5 Ų | 72.5 | 24% | 0.243 | 35% | 0.349 | C | S | . | . | B | Isolated β-bridge | trans | -62.4 | 144.4 | -176.4 | -168.2 | 180 | 176.4 | -167.7 | 0 | 113 | W907 W916 H931 | W907-K914 HydrophobicContact CD2-CB 4.05Å; W907-K914 HydrophobicContact CD2-CG 4.42Å; W907-K914 HydrophobicContact CE3-CB 3.87Å; W907-K914 VanDerWaalsContact CE3-N 3.29Å; W907-K914 HydrophobicContact CH2-CB 4.12Å; W907-K914 HydrophobicContact CZ2-CB 4.28Å; W907-K914 HydrophobicContact CZ2-CD 4.37Å; W907-K914 HydrophobicContact CZ2-CG 4.39Å; W907-K914 HydrophobicContact CZ3-CB 3.91Å; K914-W916 HydrophobicContact CD-CD2 4.11Å; K914-W916 HydrophobicContact CD-CE3 4.24Å; K914-W916 HydrophobicContact CD-CH2 3.98Å; K914-W916 HydrophobicContact CD-CZ2 3.8Å; K914-W916 HydrophobicContact CD-CZ3 4.2Å; K914-W916 VanDerWaalsContact NZ-CH2 3.35Å; K914-W916 PolarHBondContact O-N 3.39Å; K914-H931 PolarHBondContact O-NE2 3.47Å |
| 915 | V | 82 | Confident | 81.1 | Confident | 3 Ų | 3 | 70.7 Ų | 70.7 | 2% | 0.018 | 34% | 0.339 | C | S | . | . | trans | -87.6 | 89.4 | 173.4 | -175.6 | 0 | 0 | 0 | 0 | 109.4 | T906 K918 A919 A920 | T906-V915 WeakPolarHBondContact O-CB 3.5Å; T906-V915 PolarHBondContact O-N 3.14Å; V915-K918 PolarHBondContact O-N 2.97Å; V915-A919 VanDerWaalsContact CG1-O 3.27Å; V915-A919 WeakPolarHBondContact CG1-O 3.37Å; V915-A920 HydrophobicContact CB-CB 4.43Å; V915-A920 HydrophobicContact CG1-CB 3.81Å; V915-A920 HydrophobicContact CG2-CB 3.81Å | ||
| 916 | W | 69.9 | Low | 81.6 | Confident | 202 Ų | 202 | 69.2 Ų | 69.2 | 77% | 0.765 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -32.4 | -178 | -68 | 103.7 | 0 | 0 | 0 | 114.2 | K914 K918 | K914-W916 HydrophobicContact CD-CD2 4.11Å; K914-W916 HydrophobicContact CD-CE3 4.24Å; K914-W916 HydrophobicContact CD-CH2 3.98Å; K914-W916 HydrophobicContact CD-CZ2 3.8Å; K914-W916 HydrophobicContact CD-CZ3 4.2Å; K914-W916 VanDerWaalsContact NZ-CH2 3.35Å; K914-W916 PolarHBondContact O-N 3.39Å; W916-K918 PolarHBondContact O-N 3.31Å |
| 917 | T | 72.6 | Confident | 81.7 | Confident | 106 Ų | 106 | 71.2 Ų | 71.2 | 65% | 0.65 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -5.5 | 178.6 | 47 | 0 | 0 | 0 | 0 | 114.3 | A919 | T917-A919 PolarHBondContact O-N 3.33Å; T917-A919 PolarHBondContact OG1-O 2.8Å |
| 918 | K | 72.8 | Confident | 81.8 | Confident | 105 Ų | 105 | 66.5 Ų | 66.5 | 46% | 0.457 | 33% | 0.327 | S | S | . | . | S | Bend | trans | 56.6 | 0.1 | -167.3 | -64.3 | -166.6 | 178.1 | -159.6 | 0 | 115.8 | Q901 F902 Q903 V915 W916 | Q901-K918 CarbonylContact C-O 3.52Å; Q901-K918 WeakPolarHBondContact CA-O 3.48Å; Q901-K918 HydrophobicContact CG-CB 4.48Å; Q901-K918 WeakPolarHBondContact CG-O 3.39Å; F902-K918 PolarHBondContact N-O 2.59Å; F902-K918 WeakPolarHBondContact O-CB 3.47Å; Q903-K918 PolarHBondContact O-NZ 3Å; V915-K918 PolarHBondContact O-N 2.97Å; W916-K918 PolarHBondContact O-N 3.31Å |
| 919 | A | 77.9 | Confident | 81.8 | Confident | 43 Ų | 43 | 66.9 Ų | 66.9 | 36% | 0.355 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 126.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110 | T900 Q901 V915 T917 | T900-A919 WeakPolarHBondContact O-CA 3.5Å; Q901-A919 HydrophobicContact CG-CB 4.47Å; V915-A919 VanDerWaalsContact CG1-O 3.27Å; V915-A919 WeakPolarHBondContact CG1-O 3.37Å; T917-A919 PolarHBondContact O-N 3.33Å; T917-A919 PolarHBondContact OG1-O 2.8Å |
| 920 | A | 87.3 | Confident | 82.1 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 159.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | T900 F902 V915 V929 C930 | T900-A920 PolarHBondContact N-O 2.7Å; T900-A920 PolarHBondContact O-N 2.83Å; F902-A920 HydrophobicContact CD2-CB 4.22Å; F902-A920 HydrophobicContact CE2-CB 3.78Å; V915-A920 HydrophobicContact CB-CB 4.43Å; V915-A920 HydrophobicContact CG1-CB 3.81Å; V915-A920 HydrophobicContact CG2-CB 3.81Å; A920-V929 HydrophobicContact CB-CG1 3.71Å; A920-C930 VanDerWaalsContact CB-O 3.3Å; A920-C930 WeakPolarHBondContact CB-O 3.44Å |
| 921 | S | 89.3 | Confident | 82.2 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 124.6 | -176.4 | -42.1 | 0 | 0 | 0 | 0 | 108.4 | H898 D899 C930 K932 Q935 | H898-S921 CarbonylContact O-C 3.51Å; H898-S921 WeakPolarHBondContact O-CA 3.44Å; D899-S921 PolarHBondContact OD1-OG 2.87Å; S921-C930 PolarHBondContact N-O 3.05Å; S921-C930 PolarHBondContact O-N 3.15Å; S921-K932 WeakPolarHBondContact OG-CA 3.47Å; S921-Q935 PolarHBondContact OG-OE1 3.27Å |
| 922 | Q | 88.1 | Confident | 82.3 | Confident | 40 Ų | 40 | 66 Ų | 66 | 19% | 0.187 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 139 | -174.3 | -175.9 | 161.6 | 23.1 | 0 | 0 | 110.2 | F897 H898 F902 S927 Y928 V929 | F897-Q922 CarbonylContact C-O 3.57Å; F897-Q922 WeakPolarHBondContact CA-O 3.32Å; H898-Q922 PolarHBondContact CD2-O 2.94Å; H898-Q922 PolarHBondContact N-O 3.22Å; H898-Q922 PolarHBondContact O-N 2.81Å; F902-Q922 HydrophobicContact CZ-CB 4.33Å; Q922-S927 WeakPolarHBondContact CG-O 3.4Å; Q922-S927 PolarHBondContact NE2-O 3.24Å; Q922-Y928 CarbonylContact C-O 3.56Å; Q922-Y928 WeakPolarHBondContact CA-O 3.39Å; Q922-V929 HydrophobicContact CB-CG2 4.32Å; Q922-V929 HydrophobicContact CG-CG2 3.94Å |
| 923 | C | 87.4 | Confident | 82.5 | Confident | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.007 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 124.4 | 176.1 | -175.7 | 0 | 0 | 0 | 0 | 110.6 | N896 F897 I925 C926 S927 Y928 | N896-C923 PolarHBondContact N-SG 2.92Å; N896-C923 CarbonylContact O-C 3.54Å; N896-C923 VanDerWaalsContact O-CA 3.27Å; N896-C923 WeakPolarHBondContact O-CA 2.93Å; F897-C923 HydrophobicContact CD1-CB 3.98Å; F897-C923 HydrophobicContact CE1-CB 3.81Å; F897-C923 HydrophobicContact CZ-CB 4.32Å; C923-I925 PolarHBondContact O-N 3.49Å; C923-C926 VanDerWaalsContact SG-SG 3.61Å; C923-S927 WeakPolarHBondContact O-CA 3.43Å; C923-S927 PolarHBondContact O-N 3.39Å; C923-Y928 PolarHBondContact N-O 3.43Å |
| 924 | I | 77.4 | Confident | 82.5 | Confident | 103 Ų | 103 | 62.3 Ų | 62.3 | 53% | 0.528 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -27.8 | 178.2 | 52.8 | 162 | 0 | 0 | 0 | 113.4 | N896 H898 | N896-I924 HydrophobicContact CB-CD1 4.25Å; N896-I924 HydrophobicContact CB-CG1 3.91Å; N896-I924 PolarHBondContact O-N 3.04Å; H898-I924 WeakPolarHBondContact CD2-CG2 3.31Å |
| 925 | I | 75.6 | Confident | 82.5 | Confident | 86 Ų | 86 | 61.3 Ų | 61.3 | 44% | 0.441 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -50 | -173.6 | -67.5 | 138.2 | 0 | 0 | 0 | 111.5 | V893 R894 N896 C923 C945 | V893-I925 HydrophobicContact CG1-CD1 3.84Å; V893-I925 HydrophobicContact CG1-CG1 4.44Å; V893-I925 HydrophobicContact CG1-CG2 4.49Å; R894-I925 WeakPolarHBondContact O-CD1 3.28Å; N896-I925 HydrophobicContact CB-CD1 3.92Å; C923-I925 PolarHBondContact O-N 3.49Å; I925-C945 HydrophobicContact CG2-CB 4.13Å |
| 926 | C | 81.3 | Confident | 82.4 | Confident | 49 Ų | 49 | 66.7 Ų | 66.7 | 33% | 0.331 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | 10.7 | -171.5 | 72.3 | 0 | 0 | 0 | 0 | 113.8 | H895 C923 Y928 C945 | H895-C926 PolarHBondContact CE1-SG 2.85Å; H895-C926 PolarHBondContact ND1-SG 3.24Å; H895-C926 VanDerWaalsContact ND1-SG 3.43Å; C923-C926 VanDerWaalsContact SG-SG 3.61Å; C926-Y928 PolarHBondContact O-N 3.44Å; C926-C945 HydrophobicContact CB-CB 4.28Å |
| 927 | S | 82.1 | Confident | 82.9 | Confident | 76 Ų | 76 | 62.5 Ų | 62.5 | 53% | 0.531 | 32% | 0.32 | S | S | . | . | trans | 58.4 | 2.1 | -179.2 | -65.9 | 0 | 0 | 0 | 0 | 117.4 | Q922 C923 V929 | Q922-S927 WeakPolarHBondContact CG-O 3.4Å; Q922-S927 PolarHBondContact NE2-O 3.24Å; C923-S927 WeakPolarHBondContact O-CA 3.43Å; C923-S927 PolarHBondContact O-N 3.39Å; S927-V929 WeakPolarHBondContact O-CG2 3.19Å; S927-V929 PolarHBondContact O-N 2.93Å | ||
| 928 | Y | 86.2 | Confident | 83.2 | Confident | 54 Ų | 54 | 57.5 Ų | 57.5 | 21% | 0.212 | 29% | 0.289 | C | S | . | . | trans | -55.4 | 130 | -178.9 | -170.7 | -85.3 | 0 | 0 | 0 | 111.8 | F897 E909 Y910 Q922 C923 C926 C930 | F897-Y928 HydrophobicContact CE1-CD1 4.01Å; F897-Y928 HydrophobicContact CZ-CD1 4.04Å; E909-Y928 VanDerWaalsContact C-OH 3.29Å; E909-Y928 HydrophobicContact CB-CD1 4.39Å; E909-Y928 HydrophobicContact CB-CD2 4.13Å; E909-Y928 HydrophobicContact CB-CE1 3.94Å; E909-Y928 HydrophobicContact CB-CE2 3.68Å; E909-Y928 HydrophobicContact CB-CG 4.49Å; E909-Y928 PolarHBondContact O-OH 3.31Å; E909-Y928 WeakPolarHBondContact OE2-CA 3.24Å; Y910-Y928 WeakPolarHBondContact CA-OH 3.35Å; Y910-Y928 PolarHBondContact N-OH 3.04Å; Q922-Y928 CarbonylContact C-O 3.56Å; Q922-Y928 WeakPolarHBondContact CA-O 3.39Å; C923-Y928 PolarHBondContact N-O 3.43Å; C926-Y928 PolarHBondContact O-N 3.44Å; Y928-C930 HydrophobicContact CE1-CB 4.4Å | ||
| 929 | V | 87.9 | Confident | 83.5 | Confident | 10 Ų | 10 | 55.3 Ų | 55.3 | 6% | 0.061 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 123.7 | -174.5 | -173.5 | 0 | 0 | 0 | 0 | 111.7 | F902 T906 C908 E909 A920 Q922 S927 | F902-V929 HydrophobicContact CE1-CG2 4.42Å; F902-V929 HydrophobicContact CE2-CG1 3.98Å; F902-V929 HydrophobicContact CZ-CG1 3.87Å; F902-V929 HydrophobicContact CZ-CG2 4.01Å; T906-V929 HydrophobicContact CG2-CB 4.35Å; T906-V929 HydrophobicContact CG2-CG1 3.91Å; T906-V929 HydrophobicContact CG2-CG2 4.44Å; C908-V929 CarbonylContact C-O 3.55Å; C908-V929 WeakPolarHBondContact CA-O 3.37Å; E909-V929 PolarHBondContact N-O 3.24Å; E909-V929 PolarHBondContact OE2-N 3.39Å; A920-V929 HydrophobicContact CB-CG1 3.71Å; Q922-V929 HydrophobicContact CB-CG2 4.32Å; Q922-V929 HydrophobicContact CG-CG2 3.94Å; S927-V929 WeakPolarHBondContact O-CG2 3.19Å; S927-V929 PolarHBondContact O-N 2.93Å |
| 930 | C | 89.1 | Confident | 83.4 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 159.7 | 174.2 | 68.8 | 0 | 0 | 0 | 0 | 112.9 | C908 A920 S921 Y928 C934 | C908-C930 VanDerWaalsContact SG-CA 3.55Å; A920-C930 VanDerWaalsContact CB-O 3.3Å; A920-C930 WeakPolarHBondContact CB-O 3.44Å; S921-C930 PolarHBondContact N-O 3.05Å; S921-C930 PolarHBondContact O-N 3.15Å; Y928-C930 HydrophobicContact CE1-CB 4.4Å; C930-C934 HydrophobicContact CB-CB 4.21Å |
| 931 | H | 86.6 | Confident | 82.6 | Confident | 40 Ų | 40 | 63 Ų | 63 | 19% | 0.185 | 32% | 0.324 | C | S | . | . | trans | -62.2 | 148.7 | 164.5 | -61.2 | 118.3 | 0 | 0 | 0 | 109.3 | C908 C911 K913 K914 K933 C934 Q935 | C908-H931 WeakPolarHBondContact CB-CE1 3.42Å; C908-H931 VanDerWaalsContact CB-ND1 3.26Å; C908-H931 WeakPolarHBondContact CB-ND1 3.25Å; C908-H931 PolarHBondContact SG-N 2.64Å; C911-H931 VanDerWaalsContact SG-CE1 3.5Å; C911-H931 PolarHBondContact SG-ND1 3.21Å; K913-H931 PolarHBondContact O-CE1 2.86Å; K913-H931 VanDerWaalsContact O-CE1 3.27Å; K914-H931 PolarHBondContact O-NE2 3.47Å; H931-K933 PolarHBondContact O-N 3Å; H931-K933 VanDerWaalsContact O-N 3.15Å; H931-C934 HydrophobicContact CB-CB 4.32Å; H931-C934 WeakPolarHBondContact O-CA 3.29Å; H931-C934 WeakPolarHBondContact O-CB 3.31Å; H931-C934 PolarHBondContact O-N 2.9Å; H931-Q935 PolarHBondContact O-N 3.38Å | ||
| 932 | K | 84.1 | Confident | 81.4 | Confident | 125 Ų | 125 | 65.2 Ų | 65.2 | 54% | 0.543 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -56.6 | -31.2 | 174.6 | -167.9 | 167.4 | -172.1 | 165.2 | 0 | 113.6 | D899 S921 C934 Q935 | D899-K932 WeakPolarHBondContact OD2-CD 3.15Å; D899-K932 WeakPolarHBondContact OD2-CE 3.21Å; D899-K932 IonicContact OD2-NZ 3.21Å; D899-K932 PolarHBondContact OD2-NZ 3.21Å; S921-K932 WeakPolarHBondContact OG-CA 3.47Å; K932-C934 VanDerWaalsContact C-N 3.25Å; K932-C934 PolarHBondContact O-N 3.29Å; K932-Q935 PolarHBondContact O-N 3.07Å |
| 933 | K | 86 | Confident | 80.5 | Confident | 193 Ų | 193 | 65.1 Ų | 65.1 | 84% | 0.839 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -75.4 | -5.2 | 172.6 | -63.5 | -169.2 | 177.1 | -171 | 0 | 115 | H931 | H931-K933 PolarHBondContact O-N 3Å; H931-K933 VanDerWaalsContact O-N 3.15Å |
| 934 | C | 84.4 | Confident | 80 | Confident | 16 Ų | 16 | 68.3 Ų | 68.3 | 11% | 0.108 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -110.2 | -10.6 | 176.6 | -63.9 | 0 | 0 | 0 | 0 | 112.4 | Y910 C930 H931 K932 K937 C938 | Y910-C934 HydrophobicContact CD1-CB 3.66Å; Y910-C934 HydrophobicContact CE1-CB 4.41Å; Y910-C934 HydrophobicContact CG-CB 4.21Å; C930-C934 HydrophobicContact CB-CB 4.21Å; H931-C934 HydrophobicContact CB-CB 4.32Å; H931-C934 WeakPolarHBondContact O-CA 3.29Å; H931-C934 WeakPolarHBondContact O-CB 3.31Å; H931-C934 PolarHBondContact O-N 2.9Å; K932-C934 VanDerWaalsContact C-N 3.25Å; K932-C934 PolarHBondContact O-N 3.29Å; C934-K937 PolarHBondContact O-N 3.18Å; C934-C938 WeakPolarHBondContact O-CB 3.35Å; C934-C938 PolarHBondContact O-N 3.44Å |
| 935 | Q | 84.3 | Confident | 79.7 | Confident | 36 Ų | 36 | 64.5 Ų | 64.5 | 17% | 0.168 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -56.8 | -53.1 | -179.2 | 177.3 | 175.6 | -19.6 | 0 | 0 | 111.6 | F897 S921 H931 K932 K937 C938 L939 | F897-Q935 HydrophobicContact CB-CG 4.02Å; F897-Q935 HydrophobicContact CD2-CG 4.06Å; F897-Q935 HydrophobicContact CG-CG 4.14Å; S921-Q935 PolarHBondContact OG-OE1 3.27Å; H931-Q935 PolarHBondContact O-N 3.38Å; K932-Q935 PolarHBondContact O-N 3.07Å; Q935-K937 VanDerWaalsContact C-N 3.28Å; Q935-K937 PolarHBondContact O-N 3.04Å; Q935-C938 WeakPolarHBondContact O-CB 3.45Å; Q935-C938 PolarHBondContact O-N 3.3Å; Q935-C938 VanDerWaalsContact O-N 3.13Å; Q935-L939 HydrophobicContact CG-CD1 4.09Å; Q935-L939 WeakPolarHBondContact O-CG 3.46Å; Q935-L939 PolarHBondContact O-N 3.48Å |
| 936 | D | 80.9 | Confident | 79.1 | Confident | 115 Ų | 115 | 66.7 Ų | 66.7 | 62% | 0.615 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -64.9 | -33.3 | -176.7 | -47.5 | -45.5 | 0 | 0 | 0 | 112.2 | A940 | D936-A940 WeakPolarHBondContact O-CB 3.03Å; D936-A940 PolarHBondContact O-N 2.87Å |
| 937 | K | 80.1 | Confident | 77.2 | Confident | 115 Ų | 115 | 68 Ų | 68 | 50% | 0.5 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -71.1 | -41 | 173.4 | -69.4 | -160.7 | 166.3 | -138.1 | 0 | 112.6 | Y910 C934 Q935 L939 A940 E941 | Y910-K937 HydrophobicContact CE1-CB 4.09Å; Y910-K937 HydrophobicContact CE1-CD 4.26Å; Y910-K937 HydrophobicContact CE2-CB 4.27Å; C934-K937 PolarHBondContact O-N 3.18Å; Q935-K937 VanDerWaalsContact C-N 3.28Å; Q935-K937 PolarHBondContact O-N 3.04Å; K937-L939 VanDerWaalsContact C-N 3.29Å; K937-L939 PolarHBondContact O-N 2.85Å; K937-A940 PolarHBondContact O-N 2.86Å; K937-E941 WeakPolarHBondContact O-CB 3.28Å; K937-E941 PolarHBondContact O-N 2.67Å |
| 938 | C | 78.5 | Confident | 75.1 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63 | -38.2 | 174.8 | -169 | 0 | 0 | 0 | 0 | 111.1 | F897 Y910 C934 Q935 A940 S942 | F897-C938 HydrophobicContact CE2-CB 4.49Å; F897-C938 HydrophobicContact CZ-CB 4.42Å; Y910-C938 HydrophobicContact CD2-CB 4.22Å; C934-C938 WeakPolarHBondContact O-CB 3.35Å; C934-C938 PolarHBondContact O-N 3.44Å; Q935-C938 WeakPolarHBondContact O-CB 3.45Å; Q935-C938 PolarHBondContact O-N 3.3Å; Q935-C938 VanDerWaalsContact O-N 3.13Å; C938-A940 VanDerWaalsContact C-N 3.35Å; C938-S942 CarbonylContact O-C 3.58Å; C938-S942 WeakPolarHBondContact O-CA 3.19Å; C938-S942 PolarHBondContact O-N 2.56Å; C938-S942 PolarHBondContact O-OG 2.73Å; C938-S942 PolarHBondContact SG-OG 2.89Å |
| 939 | L | 78.9 | Confident | 72.5 | Confident | 60 Ų | 60 | 73.7 Ų | 73.7 | 31% | 0.314 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -71.1 | -25.5 | 174 | -70.5 | 171.1 | 0 | 0 | 0 | 113.8 | H895 F897 Q935 K937 P943 | H895-L939 HydrophobicContact CB-CD2 3.94Å; H895-L939 WeakPolarHBondContact O-CD2 3.29Å; F897-L939 HydrophobicContact CD2-CD1 4.27Å; F897-L939 HydrophobicContact CD2-CD2 3.92Å; F897-L939 HydrophobicContact CD2-CG 4.02Å; F897-L939 HydrophobicContact CE2-CD2 3.9Å; F897-L939 HydrophobicContact CE2-CG 4.05Å; Q935-L939 HydrophobicContact CG-CD1 4.09Å; Q935-L939 WeakPolarHBondContact O-CG 3.46Å; Q935-L939 PolarHBondContact O-N 3.48Å; K937-L939 VanDerWaalsContact C-N 3.29Å; K937-L939 PolarHBondContact O-N 2.85Å; L939-P943 WeakPolarHBondContact O-CB 3.26Å |
| 940 | A | 75.2 | Confident | 69.8 | Low | 80 Ų | 80 | 81.7 Ų | 81.7 | 66% | 0.661 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -84.5 | -41.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | D936 K937 C938 | D936-A940 WeakPolarHBondContact O-CB 3.03Å; D936-A940 PolarHBondContact O-N 2.87Å; K937-A940 PolarHBondContact O-N 2.86Å; C938-A940 VanDerWaalsContact C-N 3.35Å |
| 941 | E | 70.4 | Confident | 67.1 | Low | 123 Ų | 123 | 93.1 Ų | 93.1 | 58% | 0.575 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -94.1 | -24.5 | -173.9 | -66.2 | 167.9 | -165.5 | 0 | 0 | 112.8 | Y910 K937 | Y910-E941 WeakPolarHBondContact CE2-OE2 3.48Å; Y910-E941 VanDerWaalsContact CZ-OE2 3.29Å; Y910-E941 VanDerWaalsContact OH-CD 3.25Å; Y910-E941 PolarHBondContact OH-OE1 2.65Å; Y910-E941 PolarHBondContact OH-OE2 3.45Å; K937-E941 WeakPolarHBondContact O-CB 3.28Å; K937-E941 PolarHBondContact O-N 2.67Å |
| 942 | S | 65.6 | Low | 64.4 | Low | 47 Ų | 47 | 102.2 Ų | 102.2 | 33% | 0.329 | 53% | 0.53 | S | S | . | . | trans | -144.8 | 67.2 | 177.4 | 64.3 | 0 | 0 | 0 | 0 | 111.9 | H895 C938 F944 | H895-S942 PolarHBondContact CD2-O 2.62Å; C938-S942 CarbonylContact O-C 3.58Å; C938-S942 WeakPolarHBondContact O-CA 3.19Å; C938-S942 PolarHBondContact O-N 2.56Å; C938-S942 PolarHBondContact O-OG 2.73Å; C938-S942 PolarHBondContact SG-OG 2.89Å; S942-F944 VanDerWaalsContact C-N 3.3Å; S942-F944 PolarHBondContact O-N 3.5Å | ||
| 943 | P | 68.4 | Low | 61.7 | Low | 39 Ų | 39 | 100.3 Ų | 100.3 | 25% | 0.253 | 55% | 0.546 | S | S | . | . | trans | -64.2 | -23.7 | -173.2 | 18.3 | -29.7 | 0 | 0 | 0 | 115.9 | R894 H895 L939 | R894-P943 CarbonylContact C-O 3.51Å; R894-P943 VanDerWaalsContact CA-O 3.23Å; R894-P943 WeakPolarHBondContact CA-O 3.46Å; R894-P943 WeakPolarHBondContact CB-O 3.39Å; H895-P943 PolarHBondContact N-O 2.66Å; L939-P943 WeakPolarHBondContact O-CB 3.26Å | ||
| 944 | F | 77.9 | Confident | 58.9 | Low | 67 Ų | 67 | 95 Ų | 95 | 29% | 0.294 | 54% | 0.538 | S | S | . | . | B | Isolated β-bridge | trans | -106.7 | 138 | -169.9 | -57.6 | -74.8 | 0 | 0 | 0 | 113.2 | E892 R894 H895 S942 V946 | E892-F944 HydrophobicContact CB-CD1 3.63Å; E892-F944 HydrophobicContact CB-CE1 3.77Å; E892-F944 HydrophobicContact CB-CG 4.32Å; E892-F944 WeakPolarHBondContact OE2-CZ 3.3Å; R894-F944 HydrophobicContact CG-CD1 3.52Å; R894-F944 HydrophobicContact CG-CE1 3.54Å; H895-F944 PolarHBondContact CD2-O 2.85Å; H895-F944 PolarHBondContact NE2-O 3.46Å; S942-F944 VanDerWaalsContact C-N 3.3Å; S942-F944 PolarHBondContact O-N 3.5Å; F944-V946 PolarHBondContact O-N 2.82Å |
| 945 | C | 70.9 | Confident | 56.2 | Low | 23 Ų | 23 | 101.5 Ų | 101.5 | 16% | 0.155 | 57% | 0.572 | C | S | . | * | trans | -68.9 | 113.7 | 174.6 | -69.8 | 0 | 0 | 0 | 0 | 110 | V893 H895 I925 C926 A947 | V893-C945 PolarHBondContact O-N 3.25Å; H895-C945 VanDerWaalsContact CA-SG 3.59Å; H895-C945 VanDerWaalsContact CG-SG 3.58Å; I925-C945 HydrophobicContact CG2-CB 4.13Å; C926-C945 HydrophobicContact CB-CB 4.28Å; C945-A947 PolarHBondContact O-N 3.44Å; C945-A947 VanDerWaalsContact O-N 3.11Å | ||
| 946 | V | 61.4 | Low | 54.1 | Low | 133 Ų | 133 | 104.7 Ų | 104.7 | 81% | 0.806 | 60% | 0.596 | S | S | * | * | trans | -64.4 | 112 | 173.6 | -179.3 | 0 | 0 | 0 | 0 | 109.2 | F944 | F944-V946 PolarHBondContact O-N 2.82Š| ||
| 947 | A | 41.6 | Very low | 51.5 | Low | 77 Ų | 77 | 108.8 Ų | 108.8 | 64% | 0.636 | 61% | 0.611 | S | S | * | * | trans | -67.1 | 152.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | C945 A949 | C945-A947 PolarHBondContact O-N 3.44Å; C945-A947 VanDerWaalsContact O-N 3.11Å; A947-A949 PolarHBondContact O-N 3.33Å | ||
| 948 | T | 37.7 | Very low | 49 | Very low | 156 Ų | 156 | 108.2 Ų | 108.2 | 96% | 0.957 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | 24.8 | -164.4 | -25.5 | 0 | 0 | 0 | 0 | 115.5 | ||
| 949 | A | 32.8 | Very low | 46.8 | Very low | 92 Ų | 92 | 118.1 Ų | 118.1 | 76% | 0.76 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -33.6 | -166.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | A947 | A947-A949 PolarHBondContact O-N 3.33Š|
| 950 | E | 31.6 | Very low | 44.3 | Very low | 178 Ų | 178 | 120.9 Ų | 120.9 | 83% | 0.832 | 70% | 0.695 | S | S | * | * | trans | -134.3 | 100 | -171.6 | -67.4 | -169.6 | 146.1 | 0 | 0 | 113 | ||||
| 951 | R | 32.4 | Very low | 42 | Very low | 241 Ų | 241 | 123.4 Ų | 123.4 | 91% | 0.909 | 70% | 0.703 | S | S | * | * | trans | -166.7 | 83.6 | 143 | -71.9 | -148.8 | -172.3 | -163.5 | -1.5 | 113.3 | ||||
| 952 | R | 29.3 | Very low | 39.9 | Very low | 230 Ų | 230 | 124.9 Ų | 124.9 | 87% | 0.868 | 71% | 0.712 | S | S | * | * | -172 | 105.2 | 119.5 | -117 | 175 | -76.8 | -146.2 | 0.8 | 114.7 | |||||
| 953 | G | 27.4 | Very low | 38 | Very low | 86 Ų | 86 | 129.2 Ų | 129.2 | 89% | 0.887 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -129.6 | 73.1 | 149.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||
| 954 | A | 27.5 | Very low | 36.1 | Very low | 81 Ų | 81 | 139.3 Ų | 139.3 | 67% | 0.669 | 76% | 0.764 | S | S | * | * | trans | -170.9 | 133.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 955 | D | 27.2 | Very low | 33.7 | Very low | 152 Ų | 152 | 140.9 Ų | 140.9 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | trans | -125.8 | 177.4 | -179.8 | -134.5 | 31.7 | 0 | 0 | 0 | 109.9 | ||||
| 956 | P | 39.8 | Very low | 31.9 | Very low | 104 Ų | 104 | 145.6 Ų | 145.6 | 68% | 0.675 | 82% | 0.818 | S | S | * | * | -141.1 | 117.2 | -113.9 | 37.3 | -14.9 | 0 | 0 | 0 | 116.1 | |||||
| 957 | E | 27.7 | Very low | 30.5 | Very low | 201 Ų | 201 | 142.6 Ų | 142.6 | 94% | 0.939 | 81% | 0.814 | S | S | * | * | trans | -141.7 | 83.4 | 172.8 | -134.8 | 178.2 | 169.8 | 0 | 0 | 116.4 | ||||
| 958 | A | 27.4 | Very low | 30.3 | Very low | 103 Ų | 103 | 145.9 Ų | 145.9 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | trans | -159.5 | 144.9 | 152.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 959 | K | 32.2 | Very low | 30.2 | Very low | 207 Ų | 207 | 143.4 Ų | 143.4 | 90% | 0.9 | 81% | 0.805 | S | S | * | * | trans | -96.7 | 135.9 | -170.1 | -64.1 | 165.1 | -176.3 | 165.5 | 0 | 112.9 | ||||
| 960 | S | 24.9 | Very low | 30.2 | Very low | 119 Ų | 119 | 149 Ų | 149 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | trans | -149.9 | 93.6 | 145 | 68.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 961 | T | 27.5 | Very low | 30.2 | Very low | 133 Ų | 133 | 148.2 Ų | 148.2 | 82% | 0.816 | 80% | 0.802 | S | S | * | * | trans | -73.1 | 144.6 | 166.4 | 37.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 962 | M | 26.1 | Very low | 30.6 | Very low | 154 Ų | 154 | 142.6 Ų | 142.6 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | 163.6 | 129.1 | 129.7 | -80.2 | -128.2 | 94 | 0 | 0 | 111.8 | |||||
| 963 | N | 26 | Very low | 30.9 | Very low | 138 Ų | 138 | 137.5 Ų | 137.5 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | trans | 63 | 81.4 | 149.9 | -55.8 | -19.9 | 0 | 0 | 0 | 119.2 | ||||
| 964 | R | 28.3 | Very low | 31 | Very low | 250 Ų | 250 | 139.5 Ų | 139.5 | 94% | 0.943 | 77% | 0.768 | S | S | * | * | trans | -131 | 92.2 | 146.9 | -140.8 | 177.5 | -163.4 | 174.8 | 4.6 | 110.6 | ||||
| 965 | A | 27.4 | Very low | 31.2 | Very low | 101 Ų | 101 | 140 Ų | 140 | 84% | 0.835 | 76% | 0.763 | S | S | * | * | trans | -62.8 | 149.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 966 | T | 33.7 | Very low | 31.6 | Very low | 121 Ų | 121 | 135.6 Ų | 135.6 | 74% | 0.742 | 74% | 0.744 | S | S | * | * | trans | -66 | 134.4 | -172.5 | 41.5 | 0 | 0 | 0 | 0 | 112.6 | L968 | T966-L968 PolarHBondContact O-N 3.43Š| ||
| 967 | G | 32 | Very low | 31.2 | Very low | 70 Ų | 70 | 134.6 Ų | 134.6 | 72% | 0.722 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -74.2 | 17.9 | -171.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 968 | L | 36.6 | Very low | 31.7 | Very low | 147 Ų | 147 | 135.8 Ų | 135.8 | 77% | 0.77 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -79.7 | -25.9 | -168.1 | -112.3 | 153.5 | 0 | 0 | 0 | 114.1 | T966 R970 | T966-L968 PolarHBondContact O-N 3.43Å; L968-R970 VanDerWaalsContact C-N 3.3Å; L968-R970 PolarHBondContact O-N 3.02Å |
| 969 | T | 36.1 | Very low | 32.1 | Very low | 104 Ų | 104 | 137.8 Ų | 137.8 | 64% | 0.638 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -73.9 | -13.6 | -176.1 | -23.1 | 0 | 0 | 0 | 0 | 114.4 | H971 | T969-H971 PolarHBondContact O-N 3.44Š|
| 970 | R | 33.5 | Very low | 32.2 | Very low | 208 Ų | 208 | 134.1 Ų | 134.1 | 79% | 0.785 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -74.3 | -25.9 | -170.7 | -172.9 | 169.7 | -72.8 | -93.2 | -0.2 | 114.2 | L968 | L968-R970 VanDerWaalsContact C-N 3.3Å; L968-R970 PolarHBondContact O-N 3.02Å |
| 971 | H | 32.2 | Very low | 32.5 | Very low | 162 Ų | 162 | 135.1 Ų | 135.1 | 75% | 0.75 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -80.1 | -20.8 | -176.5 | -85.1 | -83.7 | 0 | 0 | 0 | 114.7 | T969 | T969-H971 PolarHBondContact O-N 3.44Å |
| 972 | I | 38.9 | Very low | 32.6 | Very low | 124 Ų | 124 | 136.8 Ų | 136.8 | 64% | 0.636 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -72.1 | -30.5 | -179.1 | -60.9 | 175.1 | 0 | 0 | 0 | 112 | N974 T975 | I972-N974 PolarHBondContact O-N 3.27Å; I972-T975 PolarHBondContact O-OG1 3.06Å |
| 973 | I | 37.4 | Very low | 32.7 | Very low | 122 Ų | 122 | 140.9 Ų | 140.9 | 63% | 0.626 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -71.2 | -33.5 | -173.9 | -60.4 | 178.9 | 0 | 0 | 0 | 111.5 | T975 S976 | I973-T975 VanDerWaalsContact C-N 3.32Å; I973-T975 PolarHBondContact O-N 3.49Å; I973-S976 PolarHBondContact O-N 2.98Å; I973-S976 PolarHBondContact O-OG 3.24Å |
| 974 | N | 28.6 | Very low | 32.9 | Very low | 129 Ų | 129 | 143.6 Ų | 143.6 | 69% | 0.69 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -80.7 | -7.2 | -174.8 | -152.5 | 8.9 | 0 | 0 | 0 | 114.4 | I972 | I972-N974 PolarHBondContact O-N 3.27Å |
| 975 | T | 32.6 | Very low | 32.9 | Very low | 91 Ų | 91 | 137.8 Ų | 137.8 | 56% | 0.558 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -86 | -25.8 | 171.8 | 33.3 | 0 | 0 | 0 | 0 | 113.4 | I972 I973 S977 R978 | I972-T975 PolarHBondContact O-OG1 3.06Å; I973-T975 VanDerWaalsContact C-N 3.32Å; I973-T975 PolarHBondContact O-N 3.49Å; T975-S977 VanDerWaalsContact C-N 3.32Å; T975-S977 PolarHBondContact O-N 3.31Å; T975-R978 PolarHBondContact O-N 2.87Å |
| 976 | S | 34 | Very low | 32.8 | Very low | 60 Ų | 60 | 138.7 Ų | 138.7 | 42% | 0.42 | 72% | 0.724 | S | S | . | * | H | α-helix | trans | -58.2 | -40.8 | -180 | 65.6 | 0 | 0 | 0 | 0 | 113.1 | I973 R978 L979 | I973-S976 PolarHBondContact O-N 2.98Å; I973-S976 PolarHBondContact O-OG 3.24Å; S976-R978 PolarHBondContact O-N 3.47Å; S976-L979 PolarHBondContact O-N 3.28Å |
| 977 | S | 32.4 | Very low | 32.5 | Very low | 83 Ų | 83 | 142.9 Ų | 142.9 | 58% | 0.58 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -9.6 | -176.5 | -48.4 | 0 | 0 | 0 | 0 | 115.5 | T975 | T975-S977 VanDerWaalsContact C-N 3.32Å; T975-S977 PolarHBondContact O-N 3.31Å |
| 978 | R | 37.3 | Very low | 32.2 | Very low | 226 Ų | 226 | 146.5 Ų | 146.5 | 85% | 0.853 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.6 | -7.3 | 179.4 | -68.3 | -170.3 | 177.9 | -166.2 | -0 | 114.7 | T975 S976 | T975-R978 PolarHBondContact O-N 2.87Å; S976-R978 PolarHBondContact O-N 3.47Å |
| 979 | L | 36 | Very low | 31.8 | Very low | 145 Ų | 145 | 151 Ų | 151 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | -23.8 | -179 | -65.6 | 175.2 | 0 | 0 | 0 | 113.4 | S976 N981 | S976-L979 PolarHBondContact O-N 3.28Å; L979-N981 PolarHBondContact O-N 2.92Å |
| 980 | L | 35.3 | Very low | 31.3 | Very low | 130 Ų | 130 | 152.7 Ų | 152.7 | 68% | 0.681 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -91.7 | 39.1 | -173.6 | -63.7 | 175.2 | 0 | 0 | 0 | 114.7 | ||
| 981 | N | 31.1 | Very low | 30.9 | Very low | 140 Ų | 140 | 150.2 Ų | 150.2 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | trans | -144.6 | 57.4 | 179.4 | -98.5 | -64.4 | 0 | 0 | 0 | 114.6 | L979 | L979-N981 PolarHBondContact O-N 2.92Š| ||
| 982 | L | 29 | Very low | 30.7 | Very low | 168 Ų | 168 | 150.5 Ų | 150.5 | 88% | 0.88 | 75% | 0.751 | S | S | * | * | trans | -118.5 | 112 | 156.1 | -88.3 | 88 | 0 | 0 | 0 | 110.8 | ||||
| 983 | R | 29.1 | Very low | 30.2 | Very low | 240 Ų | 240 | 150.2 Ų | 150.2 | 91% | 0.906 | 76% | 0.755 | S | S | * | * | trans | -71.9 | 132.3 | 166.8 | -67 | 174.4 | 174.9 | 162.5 | -3.2 | 109.3 | ||||
| 984 | Q | 29.6 | Very low | 29.5 | Very low | 194 Ų | 194 | 150 Ų | 150 | 91% | 0.907 | 76% | 0.759 | S | S | * | * | trans | -80.1 | 145.1 | 160.5 | -64 | -169 | 11.1 | 0 | 0 | 110 | ||||
| 985 | V | 27.2 | Very low | 29.4 | Very low | 128 Ų | 128 | 151.2 Ų | 151.2 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | trans | -105.5 | 131 | 172.5 | 177.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 986 | P | 27.2 | Very low | 29.1 | Very low | 121 Ų | 121 | 150.4 Ų | 150.4 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | trans | -65.3 | 146.8 | -177 | -20.1 | 32.1 | 0 | 0 | 0 | 112.9 | ||||
| 987 | K | 26.3 | Very low | 28.9 | Very low | 208 Ų | 208 | 154.6 Ų | 154.6 | 90% | 0.904 | 79% | 0.791 | S | S | * | * | trans | -119.7 | 124.8 | 155.9 | -82.3 | -168.3 | 172.3 | -173.6 | 0 | 109.3 | ||||
| 988 | T | 25.4 | Very low | 29.2 | Very low | 147 Ų | 147 | 156.7 Ų | 156.7 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | trans | -70.3 | 159.3 | 171.4 | 37.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 989 | R | 28.6 | Very low | 28.6 | Very low | 241 Ų | 241 | 149.4 Ų | 149.4 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | trans | -120.8 | 148.9 | -178.4 | -177.4 | -173.9 | -173.1 | -171.7 | 3.7 | 108.2 | ||||
| 990 | L | 24.6 | Very low | 28.1 | Very low | 140 Ų | 140 | 147.2 Ų | 147.2 | 73% | 0.733 | 80% | 0.8 | S | S | * | * | trans | -142.6 | 127.2 | 166.4 | -159.4 | 62.7 | 0 | 0 | 0 | 109.9 | ||||
| 991 | E | 25.9 | Very low | 27.7 | Very low | 156 Ų | 156 | 147.7 Ų | 147.7 | 73% | 0.729 | 81% | 0.809 | S | S | * | * | trans | 13.2 | 158.8 | 146.3 | -68.4 | 150.1 | -162 | 0 | 0 | 121.9 | ||||
| 992 | Q | 28.5 | Very low | 27.4 | Very low | 167 Ų | 167 | 147.9 Ų | 147.9 | 78% | 0.78 | 81% | 0.805 | S | S | * | * | cis | -174.9 | -169.8 | -16.2 | -179.9 | 165.7 | 1.4 | 0 | 0 | 107.6 | ||||
| 993 | V | 27.3 | Very low | 27.4 | Very low | 119 Ų | 119 | 145.6 Ų | 145.6 | 72% | 0.721 | 80% | 0.8 | S | S | * | * | trans | 95.3 | 85 | 157.1 | -168.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 994 | T | 24.4 | Very low | 27 | Very low | 116 Ų | 116 | 138.3 Ų | 138.3 | 71% | 0.712 | 79% | 0.786 | S | S | * | * | 34.5 | 127.1 | 127.8 | 60.8 | 0 | 0 | 0 | 0 | 124 | |||||
| 995 | D | 26 | Very low | 27.9 | Very low | 155 Ų | 155 | 134.2 Ų | 134.2 | 83% | 0.829 | 78% | 0.777 | S | S | * | * | 116.9 | 149.7 | 113.6 | -103.3 | -48.7 | 0 | 0 | 0 | 125.3 | |||||
| 996 | A | 26.2 | Very low | 27.9 | Very low | 75 Ų | 75 | 136.4 Ų | 136.4 | 62% | 0.62 | 78% | 0.776 | S | S | * | * | trans | 67.5 | 98.2 | 149.4 | 0 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 997 | V | 29.7 | Very low | 27.7 | Very low | 147 Ų | 147 | 137.9 Ų | 137.9 | 89% | 0.891 | 77% | 0.772 | S | S | * | * | 72.4 | 149.4 | 117.9 | 168.6 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 998 | P | 38.5 | Very low | 27.7 | Very low | 127 Ų | 127 | 133.9 Ų | 133.9 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | trans | -122 | 177.1 | -155.2 | 43 | -29.6 | 0 | 0 | 0 | 116.9 | ||||
| 999 | G | 25.1 | Very low | 27.9 | Very low | 74 Ų | 74 | 132.6 Ų | 132.6 | 76% | 0.763 | 76% | 0.759 | S | S | * | * | trans | -177 | 89 | 169 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1000 | A | 24.6 | Very low | 27.6 | Very low | 98 Ų | 98 | 127.7 Ų | 127.7 | 81% | 0.81 | 75% | 0.751 | S | S | * | * | trans | 69.5 | 159.3 | 134.3 | 0 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 1001 | V | 27.4 | Very low | 27.6 | Very low | 141 Ų | 141 | 126.7 Ų | 126.7 | 86% | 0.855 | 75% | 0.751 | S | S | * | * | trans | 81.8 | 115.3 | 160.4 | -169.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1002 | E | 24.1 | Very low | 27.7 | Very low | 143 Ų | 143 | 123.7 Ų | 123.7 | 67% | 0.668 | 75% | 0.747 | S | S | * | * | trans | -82.9 | 158.7 | 162.8 | -147 | -147.6 | 130 | 0 | 0 | 109.9 | S1004 | E1002-S1004 WeakPolarHBondContact OE1-CB 3.48Å; E1002-S1004 PolarHBondContact OE1-N 3.03Å; E1002-S1004 PolarHBondContact OE1-OG 2.7Å | ||
| 1003 | P | 28.8 | Very low | 27.5 | Very low | 120 Ų | 120 | 122.7 Ų | 122.7 | 78% | 0.779 | 75% | 0.747 | S | S | * | * | -151.1 | 155.4 | 84.4 | 41.1 | -23.6 | 0 | 0 | 0 | 116.8 | |||||
| 1004 | S | 22.3 | Very low | 27.6 | Very low | 87 Ų | 87 | 123.7 Ų | 123.7 | 61% | 0.608 | 75% | 0.748 | S | S | * | * | trans | -76.8 | -168.3 | 155.9 | -47.7 | 0 | 0 | 0 | 0 | 110.5 | E1002 | E1002-S1004 WeakPolarHBondContact OE1-CB 3.48Å; E1002-S1004 PolarHBondContact OE1-N 3.03Å; E1002-S1004 PolarHBondContact OE1-OG 2.7Å | ||
| 1005 | P | 48.2 | Very low | 27.6 | Very low | 109 Ų | 109 | 125.5 Ų | 125.5 | 71% | 0.708 | 75% | 0.749 | S | S | * | * | cis | -132.2 | -172.3 | -14 | 41.5 | -25.3 | 0 | 0 | 0 | 113.1 | ||||
| 1006 | K | 26.1 | Very low | 27.6 | Very low | 174 Ų | 174 | 123.1 Ų | 123.1 | 76% | 0.757 | 74% | 0.744 | S | S | * | * | 176.9 | 128.3 | 123.5 | -96.3 | 168.6 | -177.1 | 177.7 | 0 | 114.9 | |||||
| 1007 | Q | 24.4 | Very low | 27.9 | Very low | 152 Ų | 152 | 124.7 Ų | 124.7 | 71% | 0.71 | 75% | 0.751 | S | S | * | * | trans | 46.8 | 117.8 | 131.4 | -65.8 | 168.1 | -43.5 | 0 | 0 | 119.3 | ||||
| 1008 | T | 26.2 | Very low | 27.7 | Very low | 124 Ų | 124 | 124.8 Ų | 124.8 | 76% | 0.761 | 75% | 0.746 | S | S | * | * | 59.6 | 140.8 | 68.2 | 68 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1009 | P | 28.9 | Very low | 27.4 | Very low | 119 Ų | 119 | 125 Ų | 125 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | cis | -110 | 172.7 | 20.5 | 13.3 | 10.9 | 0 | 0 | 0 | 113.8 | ||||
| 1010 | N | 22.9 | Very low | 27.6 | Very low | 138 Ų | 138 | 128.8 Ų | 128.8 | 74% | 0.738 | 74% | 0.743 | S | S | * | * | cis | 96.5 | 144.4 | 20.5 | -158.2 | 32.7 | 0 | 0 | 0 | 115.3 | ||||
| 1011 | T | 24.5 | Very low | 27.8 | Very low | 119 Ų | 119 | 130.2 Ų | 130.2 | 73% | 0.73 | 74% | 0.742 | S | S | * | * | trans | 68.6 | 154.1 | 178.6 | 71.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1012 | S | 27.4 | Very low | 27.7 | Very low | 93 Ų | 93 | 132.6 Ų | 132.6 | 65% | 0.65 | 74% | 0.737 | S | S | * | * | cis | 176.2 | 166.6 | -19.7 | 51.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1013 | D | 24.8 | Very low | 27.8 | Very low | 147 Ų | 147 | 132.1 Ų | 132.1 | 79% | 0.786 | 74% | 0.744 | S | S | * | * | cis | -166 | 165 | -33.5 | -87.8 | -43.8 | 0 | 0 | 0 | 106.6 | ||||
| 1014 | N | 28.2 | Very low | 27.7 | Very low | 139 Ų | 139 | 131.5 Ų | 131.5 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | trans | 62.9 | 161.8 | 169.4 | -87.4 | 18.8 | 0 | 0 | 0 | 118.5 | ||||
| 1015 | E | 25.2 | Very low | 27.8 | Very low | 155 Ų | 155 | 131 Ų | 131 | 72% | 0.724 | 75% | 0.751 | S | S | * | * | cis | -145.5 | 157.6 | 2.5 | -148.3 | 156.1 | 113 | 0 | 0 | 114.3 | ||||
| 1016 | S | 27.1 | Very low | 26.7 | Very low | 105 Ų | 105 | 130.5 Ų | 130.5 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | trans | 70.7 | 150.5 | 157.9 | 78.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1017 | S | 31.3 | Very low | 26.6 | Very low | 107 Ų | 107 | 127.9 Ų | 127.9 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | cis | -167.2 | -173.8 | -48 | -109.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1018 | D | 25.7 | Very low | 26.8 | Very low | 150 Ų | 150 | 127 Ų | 127 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | trans | 77.3 | 112.2 | 162.5 | -62.1 | -8.6 | 0 | 0 | 0 | 118.6 | ||||
| 1019 | T | 32.7 | Very low | 26.7 | Very low | 130 Ų | 130 | 127 Ų | 127 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | cis | -143.4 | 142.1 | -1.8 | 52.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1020 | E | 29.2 | Very low | 26.8 | Very low | 155 Ų | 155 | 130.5 Ų | 130.5 | 72% | 0.724 | 78% | 0.776 | S | S | * | * | trans | -65.7 | 170.2 | 175.4 | -72.8 | -79.8 | 95.8 | 0 | 0 | 114.1 | Y1022 | E1020-Y1022 HydrophobicContact CB-CD2 4.28Å; E1020-Y1022 HydrophobicContact CB-CE2 4.2Å | ||
| 1021 | T | 28.9 | Very low | 27.1 | Very low | 128 Ų | 128 | 132.5 Ų | 132.5 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | -118.6 | 102.3 | 162.1 | -63.8 | 0 | 0 | 0 | 0 | 109 | T1023 | T1021-T1023 PolarHBondContact O-N 3.42Š| ||
| 1022 | Y | 24.2 | Very low | 27.8 | Very low | 191 Ų | 191 | 131.5 Ų | 131.5 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | -73.7 | 115.8 | 179.8 | -88.6 | -85.8 | 0 | 0 | 0 | 112.4 | E1020 | E1020-Y1022 HydrophobicContact CB-CD2 4.28Å; E1020-Y1022 HydrophobicContact CB-CE2 4.2Å | ||
| 1023 | T | 26.2 | Very low | 27.5 | Very low | 133 Ų | 133 | 133.3 Ų | 133.3 | 82% | 0.816 | 78% | 0.783 | S | S | * | * | trans | -132.4 | 92.7 | 150.4 | 54.7 | 0 | 0 | 0 | 0 | 108.5 | T1021 | T1021-T1023 PolarHBondContact O-N 3.42Š| ||
| 1024 | S | 27.8 | Very low | 27.4 | Very low | 106 Ų | 106 | 132 Ų | 132 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | trans | -103.9 | 140 | 171.4 | -54.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1025 | G | 24.5 | Very low | 27.3 | Very low | 77 Ų | 77 | 129.3 Ų | 129.3 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | cis | 169.7 | 154.2 | -8.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1026 | A | 24.1 | Very low | 27.3 | Very low | 98 Ų | 98 | 128.2 Ų | 128.2 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | trans | -150.4 | 118.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1027 | S | 24.2 | Very low | 27.2 | Very low | 120 Ų | 120 | 126.4 Ų | 126.4 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | trans | -163.2 | 123.4 | 176 | -76.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1028 | P | 29.4 | Very low | 27.2 | Very low | 133 Ų | 133 | 128.3 Ų | 128.3 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | trans | -79.9 | 150.6 | 163.4 | -13.6 | 30.8 | 0 | 0 | 0 | 111.7 | ||||
| 1029 | S | 24.4 | Very low | 27.4 | Very low | 125 Ų | 125 | 126 Ų | 126 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -85.3 | 179.5 | -179.7 | -164.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1030 | K | 30.7 | Very low | 27.5 | Very low | 192 Ų | 192 | 129.7 Ų | 129.7 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -104 | 163.5 | -176.8 | -65.2 | 178.2 | -179.3 | 174.1 | 0 | 113.3 | ||||
| 1031 | Q | 28.7 | Very low | 27.5 | Very low | 179 Ų | 179 | 130.3 Ų | 130.3 | 84% | 0.836 | 81% | 0.813 | S | S | * | * | trans | 123.5 | 161.1 | 143.7 | -64.7 | -161.9 | 14.2 | 0 | 0 | 114 | ||||
| 1032 | P | 38.2 | Very low | 27.4 | Very low | 98 Ų | 98 | 130.2 Ų | 130.2 | 64% | 0.636 | 81% | 0.812 | S | S | * | * | -138.2 | 165.1 | -58.2 | 39.3 | -24.3 | 0 | 0 | 0 | 113.8 | |||||
| 1033 | T | 22.2 | Very low | 27.8 | Very low | 132 Ų | 132 | 132.3 Ų | 132.3 | 81% | 0.81 | 82% | 0.819 | S | S | * | * | 158.9 | 153 | 127.9 | 44.1 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 1034 | S | 23.4 | Very low | 28.1 | Very low | 119 Ų | 119 | 135.6 Ų | 135.6 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | trans | 33.4 | 113.2 | 157.7 | 57.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 1035 | G | 25.2 | Very low | 28.2 | Very low | 82 Ų | 82 | 139 Ų | 139 | 85% | 0.845 | 83% | 0.826 | S | S | * | * | trans | -166 | 103.8 | 157 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1036 | S | 25.2 | Very low | 29.1 | Very low | 132 Ų | 132 | 138.8 Ų | 138.8 | 92% | 0.923 | 82% | 0.824 | S | S | * | * | trans | -85.4 | 131.4 | -177.9 | -171.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1037 | G | 25.5 | Very low | 29.8 | Very low | 67 Ų | 67 | 137.7 Ų | 137.7 | 69% | 0.691 | 82% | 0.822 | S | S | * | * | trans | -172.5 | 86.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | S1039 | G1037-S1039 PolarHBondContact O-N 2.68Š| ||
| 1038 | T | 31.2 | Very low | 31.4 | Very low | 147 Ų | 147 | 134.7 Ų | 134.7 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | trans | -71 | 117.2 | 174.5 | 48.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1039 | S | 29.2 | Very low | 33.2 | Very low | 102 Ų | 102 | 131.7 Ų | 131.7 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | trans | -143.8 | 144.4 | 161.8 | 66.5 | 0 | 0 | 0 | 0 | 111.9 | G1037 | G1037-S1039 PolarHBondContact O-N 2.68Š| ||
| 1040 | K | 35.1 | Very low | 35.4 | Very low | 207 Ų | 207 | 130.7 Ų | 130.7 | 90% | 0.9 | 76% | 0.758 | S | S | * | * | trans | -83.1 | 111.9 | 175.2 | -67.6 | 172.8 | -179.4 | 170.4 | 0 | 108.6 | ||||
| 1041 | L | 30.1 | Very low | 37.1 | Very low | 168 Ų | 168 | 125 Ų | 125 | 88% | 0.88 | 74% | 0.742 | S | S | * | * | trans | -84.2 | 136.1 | 174.1 | -91.4 | 169.7 | 0 | 0 | 0 | 113 | ||||
| 1042 | V | 26.8 | Very low | 39.2 | Very low | 127 Ų | 127 | 119 Ų | 119 | 77% | 0.77 | 72% | 0.717 | S | S | * | * | trans | -73.5 | 143 | -166.3 | 172.2 | 0 | 0 | 0 | 0 | 112.1 | K1044 | V1042-K1044 PolarHBondContact O-N 2.89Š| ||
| 1043 | R | 30.8 | Very low | 41 | Very low | 235 Ų | 235 | 117.6 Ų | 117.6 | 89% | 0.887 | 70% | 0.701 | S | S | * | * | trans | -58.5 | 97.7 | 168.4 | -179.9 | -167.2 | -164.3 | 126.4 | -0.8 | 110.6 | ||||
| 1044 | K | 32.5 | Very low | 43.4 | Very low | 202 Ų | 202 | 116.9 Ų | 116.9 | 88% | 0.878 | 69% | 0.691 | S | S | * | * | trans | -69.6 | 133.9 | 179.1 | -161 | 171.1 | -174.5 | 177.1 | 0 | 111.6 | V1042 | V1042-K1044 PolarHBondContact O-N 2.89Š| ||
| 1045 | E | 30 | Very low | 45.5 | Very low | 177 Ų | 177 | 112.2 Ų | 112.2 | 83% | 0.827 | 66% | 0.66 | S | S | * | * | trans | -85.9 | 164 | -179.7 | -66.1 | 177.4 | 97.9 | 0 | 0 | 113 | G1047 | E1045-G1047 VanDerWaalsContact C-N 3.3Å; E1045-G1047 PolarHBondContact O-N 2.82Å | ||
| 1046 | G | 44.5 | Very low | 48.1 | Very low | 73 Ų | 73 | 109.6 Ų | 109.6 | 75% | 0.753 | 63% | 0.628 | S | S | * | * | trans | 64.9 | 8.7 | 143.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1047 | G | 38.8 | Very low | 50.8 | Low | 74 Ų | 74 | 107 Ų | 107 | 76% | 0.763 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 134.8 | -178 | 0 | 0 | 0 | 0 | 0 | 114.4 | E1045 | E1045-G1047 VanDerWaalsContact C-N 3.3Å; E1045-G1047 PolarHBondContact O-N 2.82Å |
| 1048 | L | 58.3 | Low | 53.2 | Low | 57 Ų | 57 | 106 Ų | 106 | 30% | 0.298 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -64.1 | 155.7 | 162.2 | -73.7 | 164.5 | 0 | 0 | 0 | 110.5 | F1053 Q1125 L1129 | L1048-F1053 HydrophobicContact CB-CE2 3.75Å; L1048-F1053 HydrophobicContact CB-CZ 4.13Å; L1048-F1053 HydrophobicContact CD1-CZ 4.28Å; L1048-Q1125 HydrophobicContact CD1-CG 3.69Å; L1048-Q1125 HydrophobicContact CG-CG 4.44Å; L1048-L1129 HydrophobicContact CD1-CD1 3.82Å; L1048-L1129 HydrophobicContact CD1-CD2 4.09Å; L1048-L1129 HydrophobicContact CD1-CG 4.15Å |
| 1049 | D | 67.2 | Low | 55.5 | Low | 70 Ų | 70 | 103.3 Ų | 103.3 | 37% | 0.374 | 56% | 0.556 | S | S | . | * | P | Polyproline II helix | trans | -74.6 | 140.8 | 178.3 | -172.5 | 94.1 | 0 | 0 | 0 | 111.5 | K151 S1051 V1052 | K151-D1049 IonicContact NZ-OD1 2.67Å; K151-D1049 PolarHBondContact NZ-OD1 3.32Å; D1049-S1051 PolarHBondContact O-N 2.85Å; D1049-S1051 WeakPolarHBondContact OD2-CB 3.37Å; D1049-S1051 PolarHBondContact OD2-N 2.91Å; D1049-S1051 PolarHBondContact OD2-OG 3.16Å; D1049-V1052 WeakPolarHBondContact O-CB 3.47Å; D1049-V1052 PolarHBondContact O-N 3.47Å |
| 1050 | D | 69.7 | Low | 57.9 | Low | 105 Ų | 105 | 98.4 Ų | 98.4 | 56% | 0.561 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -56 | -30.3 | -173.2 | -45 | -70.6 | 0 | 0 | 0 | 113.1 | V1052 F1053 I1054 | D1050-V1052 PolarHBondContact O-N 3.11Å; D1050-F1053 PolarHBondContact O-N 3.06Å; D1050-I1054 WeakPolarHBondContact O-CG1 3.29Å; D1050-I1054 PolarHBondContact O-N 2.9Å |
| 1051 | S | 65.6 | Low | 60.1 | Low | 71 Ų | 71 | 92.6 Ų | 92.6 | 50% | 0.497 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.8 | -27.2 | 175.6 | 60.5 | 0 | 0 | 0 | 0 | 113.9 | D1049 A1055 | D1049-S1051 PolarHBondContact O-N 2.85Å; D1049-S1051 WeakPolarHBondContact OD2-CB 3.37Å; D1049-S1051 PolarHBondContact OD2-N 2.91Å; D1049-S1051 PolarHBondContact OD2-OG 3.16Å; S1051-A1055 WeakPolarHBondContact O-CB 3.44Å; S1051-A1055 PolarHBondContact O-N 3.04Å; S1051-A1055 VanDerWaalsContact O-N 3.13Å |
| 1052 | V | 73.8 | Confident | 62.3 | Low | 53 Ų | 53 | 87.3 Ų | 87.3 | 32% | 0.321 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -72.5 | -45.4 | 175.1 | -176.9 | 0 | 0 | 0 | 0 | 110.3 | D1049 D1050 I1054 A1055 V1056 L1129 | D1049-V1052 WeakPolarHBondContact O-CB 3.47Å; D1049-V1052 PolarHBondContact O-N 3.47Å; D1050-V1052 PolarHBondContact O-N 3.11Å; V1052-I1054 PolarHBondContact O-N 2.87Å; V1052-A1055 PolarHBondContact O-N 2.73Å; V1052-V1056 HydrophobicContact CG1-CG2 4.35Å; V1052-V1056 WeakPolarHBondContact O-CB 3.27Å; V1052-V1056 VanDerWaalsContact O-CG2 3.26Å; V1052-V1056 WeakPolarHBondContact O-CG2 3.31Å; V1052-V1056 PolarHBondContact O-N 3.06Å; V1052-L1129 HydrophobicContact CG1-CD1 4.39Å; V1052-L1129 HydrophobicContact CG1-CD2 4.48Å |
| 1053 | F | 75.2 | Confident | 64.8 | Low | 69 Ų | 69 | 82.5 Ų | 82.5 | 30% | 0.303 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.7 | -41.1 | 177.7 | -69.1 | -75.2 | 0 | 0 | 0 | 112 | L1048 D1050 V1056 K1057 L1129 I1132 | L1048-F1053 HydrophobicContact CB-CE2 3.75Å; L1048-F1053 HydrophobicContact CB-CZ 4.13Å; L1048-F1053 HydrophobicContact CD1-CZ 4.28Å; D1050-F1053 PolarHBondContact O-N 3.06Å; F1053-V1056 PolarHBondContact O-N 3.35Å; F1053-K1057 PolarHBondContact O-N 3.03Å; F1053-L1129 HydrophobicContact CD1-CD2 3.8Å; F1053-L1129 HydrophobicContact CE1-CD2 3.6Å; F1053-L1129 HydrophobicContact CZ-CD2 4.33Å; F1053-I1132 HydrophobicContact CD1-CD1 3.69Å; F1053-I1132 HydrophobicContact CE1-CD1 3.67Å |
| 1054 | I | 72.7 | Confident | 67 | Low | 117 Ų | 117 | 74.7 Ų | 74.7 | 60% | 0.6 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -59.9 | -49 | 174.6 | -66.5 | 165.6 | 0 | 0 | 0 | 110.4 | D1050 V1052 V1056 K1057 E1058 | D1050-I1054 WeakPolarHBondContact O-CG1 3.29Å; D1050-I1054 PolarHBondContact O-N 2.9Å; V1052-I1054 PolarHBondContact O-N 2.87Å; I1054-V1056 VanDerWaalsContact C-N 3.34Å; I1054-V1056 PolarHBondContact O-N 2.95Å; I1054-K1057 PolarHBondContact O-N 3.42Å; I1054-E1058 VanDerWaalsContact O-CB 3.23Å; I1054-E1058 WeakPolarHBondContact O-CB 3.47Å; I1054-E1058 PolarHBondContact O-N 3.02Å |
| 1055 | A | 69.2 | Low | 68.9 | Low | 21 Ų | 21 | 68.5 Ų | 68.5 | 17% | 0.174 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.5 | -35.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S1051 V1052 E1058 I1059 | S1051-A1055 WeakPolarHBondContact O-CB 3.44Å; S1051-A1055 PolarHBondContact O-N 3.04Å; S1051-A1055 VanDerWaalsContact O-N 3.13Å; V1052-A1055 PolarHBondContact O-N 2.73Å; A1055-E1058 PolarHBondContact O-N 2.95Å; A1055-I1059 WeakPolarHBondContact O-CD1 3.27Å; A1055-I1059 VanDerWaalsContact O-CG1 3.28Å; A1055-I1059 WeakPolarHBondContact O-CG1 3.21Å; A1055-I1059 PolarHBondContact O-N 2.81Å; A1055-I1059 VanDerWaalsContact O-N 3.08Å |
| 1056 | V | 78.8 | Confident | 70.4 | Confident | 27 Ų | 27 | 63.8 Ų | 63.8 | 16% | 0.164 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -71 | -42.3 | 178.7 | 167.5 | 0 | 0 | 0 | 0 | 111.8 | V1052 F1053 I1054 G1060 L1129 I1132 H1133 | V1052-V1056 HydrophobicContact CG1-CG2 4.35Å; V1052-V1056 WeakPolarHBondContact O-CB 3.27Å; V1052-V1056 VanDerWaalsContact O-CG2 3.26Å; V1052-V1056 WeakPolarHBondContact O-CG2 3.31Å; V1052-V1056 PolarHBondContact O-N 3.06Å; F1053-V1056 PolarHBondContact O-N 3.35Å; I1054-V1056 VanDerWaalsContact C-N 3.34Å; I1054-V1056 PolarHBondContact O-N 2.95Å; V1056-G1060 PolarHBondContact O-N 2.72Å; V1056-L1129 WeakPolarHBondContact CG1-O 3.44Å; V1056-L1129 HydrophobicContact CG2-CD2 4.4Å; V1056-I1132 HydrophobicContact CG1-CB 4.45Å; V1056-I1132 HydrophobicContact CG1-CG2 4.27Å; V1056-H1133 HydrophobicContact CG1-CB 3.8Å; V1056-H1133 PolarHBondContact O-ND1 2.73Å |
| 1057 | K | 81.1 | Confident | 71.9 | Confident | 79 Ų | 79 | 63 Ų | 63 | 34% | 0.343 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.9 | -39.7 | 169.7 | -79.2 | -149.8 | 160.8 | -154.5 | 0 | 112 | F1053 I1054 G1060 R1061 I1132 A1136 E1139 | F1053-K1057 PolarHBondContact O-N 3.03Å; I1054-K1057 PolarHBondContact O-N 3.42Å; K1057-G1060 PolarHBondContact O-N 2.94Å; K1057-R1061 PolarHBondContact O-N 3.39Å; K1057-I1132 HydrophobicContact CD-CG2 4.35Å; K1057-I1132 HydrophobicContact CG-CG2 3.5Å; K1057-I1132 VanDerWaalsContact CG-CG2 3.5Å; K1057-A1136 HydrophobicContact CB-CB 3.99Å; K1057-A1136 HydrophobicContact CD-CB 4.38Å; K1057-A1136 HydrophobicContact CG-CB 3.96Å; K1057-A1136 WeakPolarHBondContact O-CB 3.49Å; K1057-E1139 IonicContact NZ-OE1 3.59Å; K1057-E1139 PolarHBondContact NZ-OE1 2.71Å; K1057-E1139 IonicContact NZ-OE2 2.9Å; K1057-E1139 PolarHBondContact NZ-OE2 2.93Å |
| 1058 | E | 76.1 | Confident | 73.6 | Confident | 46 Ų | 46 | 62.5 Ų | 62.5 | 22% | 0.215 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.5 | -53.9 | -180 | 177.3 | 174.7 | -122.3 | 0 | 0 | 111.9 | R820 I1054 A1055 G1060 R1061 | R820-E1058 IonicContact NH1-OE2 2.72Å; R820-E1058 PolarHBondContact NH1-OE2 3.35Å; R820-E1058 VanDerWaalsContact NH1-OE2 3.08Å; I1054-E1058 VanDerWaalsContact O-CB 3.23Å; I1054-E1058 WeakPolarHBondContact O-CB 3.47Å; I1054-E1058 PolarHBondContact O-N 3.02Å; A1055-E1058 PolarHBondContact O-N 2.95Å; E1058-G1060 PolarHBondContact O-N 2.76Å; E1058-R1061 PolarHBondContact O-N 3.42Å |
| 1059 | I | 79.6 | Confident | 74.5 | Confident | 89 Ų | 89 | 64 Ų | 64 | 46% | 0.456 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -70.3 | -24.8 | 179.1 | -52.1 | 160.4 | 0 | 0 | 0 | 110.6 | A1055 R1061 D1062 H1133 | A1055-I1059 WeakPolarHBondContact O-CD1 3.27Å; A1055-I1059 VanDerWaalsContact O-CG1 3.28Å; A1055-I1059 WeakPolarHBondContact O-CG1 3.21Å; A1055-I1059 PolarHBondContact O-N 2.81Å; A1055-I1059 VanDerWaalsContact O-N 3.08Å; I1059-R1061 PolarHBondContact O-N 2.77Å; I1059-D1062 PolarHBondContact O-N 3.35Å; I1059-H1133 VanDerWaalsContact C-CE1 3.48Å |
| 1060 | G | 79.4 | Confident | 75.1 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.4 | -40.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | V1056 K1057 E1058 D1062 L1063 H1133 G1137 | V1056-G1060 PolarHBondContact O-N 2.72Å; K1057-G1060 PolarHBondContact O-N 2.94Å; E1058-G1060 PolarHBondContact O-N 2.76Å; G1060-D1062 PolarHBondContact O-N 2.67Å; G1060-D1062 VanDerWaalsContact O-N 3.15Å; G1060-L1063 VanDerWaalsContact O-CB 3.27Å; G1060-L1063 WeakPolarHBondContact O-CB 3.28Å; G1060-L1063 WeakPolarHBondContact O-CG 3.4Å; G1060-L1063 PolarHBondContact O-N 2.97Å; G1060-H1133 VanDerWaalsContact CA-ND1 3.27Å; G1060-H1133 WeakPolarHBondContact CA-ND1 3.48Å; G1060-H1133 WeakPolarHBondContact CA-O 3.41Å; G1060-H1133 PolarHBondContact N-CE1 2.78Å; G1060-H1133 PolarHBondContact N-ND1 3.15Å; G1060-G1137 WeakPolarHBondContact O-CA 3.39Å |
| 1061 | R | 81.9 | Confident | 75.6 | Confident | 84 Ų | 84 | 66.1 Ų | 66.1 | 32% | 0.317 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -16.4 | 175.8 | -70.8 | -179.5 | -63.5 | 173.5 | -1 | 114.6 | K1057 E1058 I1059 R1065 R1072 A1136 D1140 | K1057-R1061 PolarHBondContact O-N 3.39Å; E1058-R1061 PolarHBondContact O-N 3.42Å; I1059-R1061 PolarHBondContact O-N 2.77Å; R1061-R1065 VanDerWaalsContact O-CZ 3.27Å; R1061-R1065 PolarHBondContact O-NE 3.04Å; R1061-R1065 PolarHBondContact O-NH2 2.98Å; R1061-R1072 PolarHBondContact O-NH2 2.64Å; R1061-A1136 HydrophobicContact CG-CB 4.49Å; R1061-A1136 WeakPolarHBondContact CG-O 3.3Å; R1061-D1140 HydrophobicContact CB-CB 4.22Å; R1061-D1140 WeakPolarHBondContact CB-OD1 3.41Å; R1061-D1140 HydrophobicContact CG-CB 4.06Å |
| 1062 | D | 76.2 | Confident | 76.6 | Confident | 57 Ų | 57 | 63.4 Ų | 63.4 | 31% | 0.305 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -4.7 | 175.7 | -72.2 | -52.5 | 0 | 0 | 0 | 113.4 | I1059 G1060 Y1064 R1065 | I1059-D1062 PolarHBondContact O-N 3.35Å; G1060-D1062 PolarHBondContact O-N 2.67Å; G1060-D1062 VanDerWaalsContact O-N 3.15Å; D1062-Y1064 PolarHBondContact O-N 2.76Å; D1062-R1065 WeakPolarHBondContact O-CB 3.41Å; D1062-R1065 PolarHBondContact O-N 2.76Å; D1062-R1065 IonicContact OD1-CZ 3.48Å; D1062-R1065 IonicContact OD1-NE 3.26Å; D1062-R1065 IonicContact OD1-NH1 2.82Å; D1062-R1065 PolarHBondContact OD1-NH1 2.83Å |
| 1063 | L | 79.9 | Confident | 77.2 | Confident | 27 Ų | 27 | 62.3 Ų | 62.3 | 14% | 0.141 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 129.1 | 179 | -72.8 | 170.6 | 0 | 0 | 0 | 111.6 | G1060 R1065 R1072 L1076 H1133 Y1134 | G1060-L1063 VanDerWaalsContact O-CB 3.27Å; G1060-L1063 WeakPolarHBondContact O-CB 3.28Å; G1060-L1063 WeakPolarHBondContact O-CG 3.4Å; G1060-L1063 PolarHBondContact O-N 2.97Å; L1063-R1065 PolarHBondContact O-N 2.91Å; L1063-R1072 PolarHBondContact O-NE 3.13Å; L1063-R1072 PolarHBondContact O-NH2 2.81Å; L1063-L1076 HydrophobicContact CB-CD2 3.89Å; L1063-L1076 HydrophobicContact CD1-CD2 4.23Å; L1063-H1133 WeakPolarHBondContact CD1-O 3.38Å; L1063-Y1134 HydrophobicContact CD1-CD1 3.59Å; L1063-Y1134 HydrophobicContact CD1-CE1 3.94Å; L1063-Y1134 HydrophobicContact CD1-CG 4.2Å |
| 1064 | Y | 77.1 | Confident | 77.8 | Confident | 70 Ų | 70 | 65 Ų | 65 | 28% | 0.275 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 19.3 | 176.8 | -51.4 | -50.1 | 0 | 0 | 0 | 116 | D1062 G1066 L1067 K1075 L1076 M1079 Y1134 | D1062-Y1064 PolarHBondContact O-N 2.76Å; Y1064-G1066 PolarHBondContact O-N 3.42Å; Y1064-L1067 PolarHBondContact O-N 3.07Å; Y1064-K1075 HydrophobicContact CD1-CD 4.11Å; Y1064-K1075 HydrophobicContact CD2-CB 4.36Å; Y1064-K1075 HydrophobicContact CD2-CD 4Å; Y1064-K1075 HydrophobicContact CD2-CG 3.95Å; Y1064-K1075 HydrophobicContact CE1-CD 4.24Å; Y1064-K1075 HydrophobicContact CE2-CD 4.12Å; Y1064-K1075 HydrophobicContact CE2-CG 3.82Å; Y1064-K1075 HydrophobicContact CG-CD 4.01Å; Y1064-K1075 HydrophobicContact CG-CG 4.47Å; Y1064-L1076 HydrophobicContact CD2-CD2 3.78Å; Y1064-L1076 HydrophobicContact CD2-CG 4.11Å; Y1064-L1076 HydrophobicContact CE2-CD2 4.16Å; Y1064-M1079 HydrophobicContact CE2-CG 4.4Å; Y1064-Y1134 HydrophobicContact CE2-CE1 4.18Å |
| 1065 | R | 72.3 | Confident | 78.5 | Confident | 72 Ų | 72 | 63.6 Ų | 63.6 | 27% | 0.272 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -3.1 | -180 | -179.1 | 170.1 | -87.7 | -177 | -14 | 115.4 | A812 R1061 D1062 L1063 D1140 | A812-R1065 PolarHBondContact O-NH1 2.97Å; A812-R1065 VanDerWaalsContact O-NH1 3.14Å; R1061-R1065 VanDerWaalsContact O-CZ 3.27Å; R1061-R1065 PolarHBondContact O-NE 3.04Å; R1061-R1065 PolarHBondContact O-NH2 2.98Å; D1062-R1065 WeakPolarHBondContact O-CB 3.41Å; D1062-R1065 PolarHBondContact O-N 2.76Å; D1062-R1065 IonicContact OD1-CZ 3.48Å; D1062-R1065 IonicContact OD1-NE 3.26Å; D1062-R1065 IonicContact OD1-NH1 2.82Å; D1062-R1065 PolarHBondContact OD1-NH1 2.83Å; L1063-R1065 PolarHBondContact O-N 2.91Å; R1065-D1140 IonicContact CZ-OD1 3.97Å; R1065-D1140 IonicContact CZ-OD2 3.6Å; R1065-D1140 IonicContact NE-OD2 3.59Å; R1065-D1140 IonicContact NH2-OD1 2.67Å; R1065-D1140 PolarHBondContact NH2-OD1 2.97Å; R1065-D1140 IonicContact NH2-OD2 3.57Å; R1065-D1140 PolarHBondContact NH2-OD2 3.28Å |
| 1066 | G | 61.7 | Low | 79.5 | Confident | 79 Ų | 79 | 62.6 Ų | 62.6 | 81% | 0.814 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | 10 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115 | Y1064 | Y1064-G1066 PolarHBondContact O-N 3.42Š|
| 1067 | L | 75.1 | Confident | 80.1 | Confident | 55 Ų | 55 | 65.6 Ų | 65.6 | 29% | 0.288 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -105.5 | 158.8 | 170 | -60.2 | -179.4 | 0 | 0 | 0 | 110.3 | Y1064 E1071 R1072 K1075 | Y1064-L1067 PolarHBondContact O-N 3.07Å; L1067-E1071 HydrophobicContact CB-CB 4.1Å; L1067-E1071 HydrophobicContact CD1-CB 4.4Å; L1067-R1072 HydrophobicContact CB-CB 4.43Å; L1067-K1075 HydrophobicContact CD1-CD 3.53Å |
| 1068 | P | 74 | Confident | 80.6 | Confident | 65 Ų | 65 | 66 Ų | 66 | 42% | 0.422 | 35% | 0.346 | S | S | . | . | trans | -52.1 | 152.5 | 165.2 | -24.4 | 33.9 | 0 | 0 | 0 | 112.2 | D1070 E1071 R1072 | P1068-D1070 VanDerWaalsContact C-N 3.27Å; P1068-D1070 PolarHBondContact O-N 2.91Å; P1068-E1071 HydrophobicContact CB-CB 4.45Å; P1068-E1071 HydrophobicContact CB-CG 4.44Å; P1068-E1071 HydrophobicContact CG-CG 4.33Å; P1068-E1071 PolarHBondContact O-N 3.44Å; P1068-R1072 VanDerWaalsContact O-CB 3.26Å; P1068-R1072 WeakPolarHBondContact O-CB 3.4Å; P1068-R1072 PolarHBondContact O-N 2.96Å | ||
| 1069 | T | 77.5 | Confident | 81.3 | Confident | 89 Ų | 89 | 66.5 Ų | 66.5 | 55% | 0.546 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -49.7 | -47 | -178.3 | -46.5 | 0 | 0 | 0 | 0 | 112.2 | R1072 S1073 L1141 | T1069-R1072 WeakPolarHBondContact O-CA 3.43Å; T1069-R1072 WeakPolarHBondContact O-CB 3.34Å; T1069-R1072 PolarHBondContact O-N 3.14Å; T1069-R1072 VanDerWaalsContact O-N 3.14Å; T1069-S1073 PolarHBondContact O-N 3.05Å; T1069-S1073 PolarHBondContact O-OG 3.31Å; T1069-L1141 HydrophobicContact CG2-CD2 3.89Å |
| 1070 | D | 79.4 | Confident | 81.9 | Confident | 111 Ų | 111 | 63.5 Ų | 63.5 | 59% | 0.594 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -73.9 | -34.5 | -175.3 | -34.4 | -38.5 | 0 | 0 | 0 | 112.7 | P1068 R1072 S1073 Q1074 | P1068-D1070 VanDerWaalsContact C-N 3.27Å; P1068-D1070 PolarHBondContact O-N 2.91Å; D1070-R1072 VanDerWaalsContact C-N 3.27Å; D1070-S1073 PolarHBondContact O-OG 3.34Å; D1070-S1073 VanDerWaalsContact O-OG 3.09Å; D1070-Q1074 WeakPolarHBondContact O-CB 3.43Å; D1070-Q1074 VanDerWaalsContact O-CG 3.23Å; D1070-Q1074 WeakPolarHBondContact O-CG 3.36Å; D1070-Q1074 PolarHBondContact O-N 2.88Å; D1070-Q1074 PolarHBondContact O-NE2 3.38Å |
| 1071 | E | 81 | Confident | 82.5 | Confident | 107 Ų | 107 | 68 Ų | 68 | 50% | 0.5 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -72.1 | -26.6 | 170.9 | -70.6 | -170.7 | -166 | 0 | 0 | 111.5 | L1067 P1068 K1075 | L1067-E1071 HydrophobicContact CB-CB 4.1Å; L1067-E1071 HydrophobicContact CD1-CB 4.4Å; P1068-E1071 HydrophobicContact CB-CB 4.45Å; P1068-E1071 HydrophobicContact CB-CG 4.44Å; P1068-E1071 HydrophobicContact CG-CG 4.33Å; P1068-E1071 PolarHBondContact O-N 3.44Å; E1071-K1075 WeakPolarHBondContact O-CB 3.45Å; E1071-K1075 PolarHBondContact O-N 3.12Å |
| 1072 | R | 85.9 | Confident | 83 | Confident | 14 Ų | 14 | 68.7 Ų | 68.7 | 5% | 0.053 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -76.4 | -46.3 | 179.6 | -173.8 | 173.5 | 179.1 | -133.2 | -0.7 | 111 | R1061 L1063 L1067 P1068 T1069 D1070 L1076 D1140 L1141 | R1061-R1072 PolarHBondContact O-NH2 2.64Å; L1063-R1072 PolarHBondContact O-NE 3.13Å; L1063-R1072 PolarHBondContact O-NH2 2.81Å; L1067-R1072 HydrophobicContact CB-CB 4.43Å; P1068-R1072 VanDerWaalsContact O-CB 3.26Å; P1068-R1072 WeakPolarHBondContact O-CB 3.4Å; P1068-R1072 PolarHBondContact O-N 2.96Å; T1069-R1072 WeakPolarHBondContact O-CA 3.43Å; T1069-R1072 WeakPolarHBondContact O-CB 3.34Å; T1069-R1072 PolarHBondContact O-N 3.14Å; T1069-R1072 VanDerWaalsContact O-N 3.14Å; D1070-R1072 VanDerWaalsContact C-N 3.27Å; R1072-L1076 HydrophobicContact CG-CD1 4.02Å; R1072-L1076 WeakPolarHBondContact O-CB 3.2Å; R1072-L1076 WeakPolarHBondContact O-CD1 3.41Å; R1072-L1076 WeakPolarHBondContact O-CG 3.3Å; R1072-L1076 PolarHBondContact O-N 2.9Å; R1072-D1140 IonicContact CZ-OD2 2.77Å; R1072-D1140 IonicContact NH1-OD2 3.47Å; R1072-D1140 PolarHBondContact NH1-OD2 2.93Å; R1072-D1140 IonicContact NH2-OD2 3.59Å; R1072-D1140 PolarHBondContact NH2-OD2 3.19Å; R1072-D1140 VanDerWaalsContact NH2-OD2 3.15Å; R1072-L1141 HydrophobicContact CG-CD1 4.23Å; R1072-L1141 HydrophobicContact CG-CD2 4.4Å |
| 1073 | S | 86.6 | Confident | 83.8 | Confident | 30 Ų | 30 | 66.7 Ų | 66.7 | 21% | 0.21 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.8 | -59.7 | 175.1 | 50.9 | 0 | 0 | 0 | 0 | 111.4 | T1069 D1070 K1075 L1076 E1077 | T1069-S1073 PolarHBondContact O-N 3.05Å; T1069-S1073 PolarHBondContact O-OG 3.31Å; D1070-S1073 PolarHBondContact O-OG 3.34Å; D1070-S1073 VanDerWaalsContact O-OG 3.09Å; S1073-K1075 PolarHBondContact O-N 2.96Å; S1073-L1076 WeakPolarHBondContact O-CA 3.49Å; S1073-L1076 PolarHBondContact O-N 3.05Å; S1073-E1077 WeakPolarHBondContact O-CG 3.5Å; S1073-E1077 PolarHBondContact O-N 2.81Å |
| 1074 | Q | 88.6 | Confident | 84.3 | Confident | 125 Ų | 125 | 68.6 Ų | 68.6 | 58% | 0.584 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -51.9 | -36.2 | -179.7 | -69.7 | 174 | 35.5 | 0 | 0 | 112.9 | D1070 L1078 | D1070-Q1074 WeakPolarHBondContact O-CB 3.43Å; D1070-Q1074 VanDerWaalsContact O-CG 3.23Å; D1070-Q1074 WeakPolarHBondContact O-CG 3.36Å; D1070-Q1074 PolarHBondContact O-N 2.88Å; D1070-Q1074 PolarHBondContact O-NE2 3.38Å; Q1074-L1078 WeakPolarHBondContact O-CB 3.11Å; Q1074-L1078 PolarHBondContact O-N 3.23Å |
| 1075 | K | 87.3 | Confident | 85.1 | Confident | 88 Ų | 88 | 70.7 Ų | 70.7 | 38% | 0.383 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -79.9 | -29.1 | -179.8 | -168.2 | 174.7 | -167.6 | 162.6 | 0 | 113.7 | Y1064 L1067 E1071 S1073 M1079 | Y1064-K1075 HydrophobicContact CD1-CD 4.11Å; Y1064-K1075 HydrophobicContact CD2-CB 4.36Å; Y1064-K1075 HydrophobicContact CD2-CD 4Å; Y1064-K1075 HydrophobicContact CD2-CG 3.95Å; Y1064-K1075 HydrophobicContact CE1-CD 4.24Å; Y1064-K1075 HydrophobicContact CE2-CD 4.12Å; Y1064-K1075 HydrophobicContact CE2-CG 3.82Å; Y1064-K1075 HydrophobicContact CG-CD 4.01Å; Y1064-K1075 HydrophobicContact CG-CG 4.47Å; L1067-K1075 HydrophobicContact CD1-CD 3.53Å; E1071-K1075 WeakPolarHBondContact O-CB 3.45Å; E1071-K1075 PolarHBondContact O-N 3.12Å; S1073-K1075 PolarHBondContact O-N 2.96Å; K1075-M1079 WeakPolarHBondContact O-CB 3.37Å; K1075-M1079 WeakPolarHBondContact O-CG 3.22Å; K1075-M1079 PolarHBondContact O-N 3.46Å |
| 1076 | L | 89.9 | Confident | 86.1 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -73.5 | -44.5 | 171.5 | -70.5 | 167 | 0 | 0 | 0 | 110.6 | L1063 Y1064 R1072 S1073 M1079 L1080 Y1134 G1137 I1138 L1141 | L1063-L1076 HydrophobicContact CB-CD2 3.89Å; L1063-L1076 HydrophobicContact CD1-CD2 4.23Å; Y1064-L1076 HydrophobicContact CD2-CD2 3.78Å; Y1064-L1076 HydrophobicContact CD2-CG 4.11Å; Y1064-L1076 HydrophobicContact CE2-CD2 4.16Å; R1072-L1076 HydrophobicContact CG-CD1 4.02Å; R1072-L1076 WeakPolarHBondContact O-CB 3.2Å; R1072-L1076 WeakPolarHBondContact O-CD1 3.41Å; R1072-L1076 WeakPolarHBondContact O-CG 3.3Å; R1072-L1076 PolarHBondContact O-N 2.9Å; S1073-L1076 WeakPolarHBondContact O-CA 3.49Å; S1073-L1076 PolarHBondContact O-N 3.05Å; L1076-M1079 CarbonylContact O-C 3.35Å; L1076-M1079 PolarHBondContact O-N 3.11Å; L1076-M1079 VanDerWaalsContact O-N 3.15Å; L1076-L1080 PolarHBondContact O-N 2.88Å; L1076-Y1134 HydrophobicContact CD2-CD1 3.94Å; L1076-G1137 VanDerWaalsContact CD1-C 3.46Å; L1076-G1137 WeakPolarHBondContact CD1-O 3.33Å; L1076-I1138 HydrophobicContact CB-CD1 3.95Å; L1076-I1138 HydrophobicContact CB-CG1 3.65Å; L1076-I1138 HydrophobicContact CD1-CG1 3.95Å; L1076-I1138 HydrophobicContact CG-CG1 4.41Å; L1076-L1141 HydrophobicContact CD1-CD1 4.05Å |
| 1077 | E | 91.1 | Very high | 87.5 | Confident | 91 Ų | 91 | 67.6 Ų | 67.6 | 43% | 0.425 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -57.3 | -55 | 174.7 | -69.7 | 160.4 | -167.9 | 0 | 0 | 111.2 | S1073 M1079 L1080 D1081 I1138 | S1073-E1077 WeakPolarHBondContact O-CG 3.5Å; S1073-E1077 PolarHBondContact O-N 2.81Å; E1077-M1079 PolarHBondContact O-N 2.93Å; E1077-L1080 CarbonylContact O-C 3.52Å; E1077-L1080 WeakPolarHBondContact O-CA 3.45Å; E1077-L1080 WeakPolarHBondContact O-CB 3.49Å; E1077-L1080 PolarHBondContact O-N 3.29Å; E1077-D1081 PolarHBondContact O-N 3.47Å; E1077-I1138 HydrophobicContact CG-CD1 3.89Å |
| 1078 | L | 92.1 | Very high | 88.4 | Confident | 88 Ų | 88 | 68.6 Ų | 68.6 | 46% | 0.461 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.1 | -22.8 | 176.8 | -177.5 | 63.9 | 0 | 0 | 0 | 113.5 | Q1074 K1082 | Q1074-L1078 WeakPolarHBondContact O-CB 3.11Å; Q1074-L1078 PolarHBondContact O-N 3.23Å; L1078-K1082 WeakPolarHBondContact O-CD 3.41Å; L1078-K1082 WeakPolarHBondContact O-CG 3.46Å |
| 1079 | M | 91.4 | Very high | 89.3 | Confident | 55 Ų | 55 | 70.7 Ų | 70.7 | 27% | 0.271 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -87.3 | -30.3 | 173.7 | -69.3 | -89.4 | 60.4 | 0 | 0 | 112.7 | Y1064 K1075 L1076 E1077 K1082 L1083 Y1134 | Y1064-M1079 HydrophobicContact CE2-CG 4.4Å; K1075-M1079 WeakPolarHBondContact O-CB 3.37Å; K1075-M1079 WeakPolarHBondContact O-CG 3.22Å; K1075-M1079 PolarHBondContact O-N 3.46Å; L1076-M1079 CarbonylContact O-C 3.35Å; L1076-M1079 PolarHBondContact O-N 3.11Å; L1076-M1079 VanDerWaalsContact O-N 3.15Å; E1077-M1079 PolarHBondContact O-N 2.93Å; M1079-K1082 HydrophobicContact CE-CB 4.35Å; M1079-K1082 HydrophobicContact CE-CD 3.97Å; M1079-L1083 WeakPolarHBondContact O-CB 3.47Å; M1079-L1083 PolarHBondContact O-N 2.86Å; M1079-L1083 VanDerWaalsContact O-N 3.14Å; M1079-Y1134 HydrophobicContact CB-CD1 3.95Å; M1079-Y1134 HydrophobicContact CB-CE1 3.83Å; M1079-Y1134 HydrophobicContact CB-CE2 4.5Å; M1079-Y1134 HydrophobicContact CB-CG 4.37Å; M1079-Y1134 HydrophobicContact CG-CE1 4.19Å |
| 1080 | L | 92.2 | Very high | 89.9 | Confident | 27 Ų | 27 | 66.8 Ų | 66.8 | 14% | 0.141 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.1 | -44.3 | 169.6 | -75.3 | 174.9 | 0 | 0 | 0 | 111.9 | L1076 E1077 K1082 L1083 Q1084 M1131 R1135 I1138 | L1076-L1080 PolarHBondContact O-N 2.88Å; E1077-L1080 CarbonylContact O-C 3.52Å; E1077-L1080 WeakPolarHBondContact O-CA 3.45Å; E1077-L1080 WeakPolarHBondContact O-CB 3.49Å; E1077-L1080 PolarHBondContact O-N 3.29Å; L1080-K1082 PolarHBondContact O-N 3.16Å; L1080-L1083 CarbonylContact O-C 3.58Å; L1080-L1083 PolarHBondContact O-N 3.28Å; L1080-L1083 VanDerWaalsContact O-N 3.12Å; L1080-Q1084 WeakPolarHBondContact O-CB 3.35Å; L1080-Q1084 PolarHBondContact O-N 2.72Å; L1080-M1131 HydrophobicContact CD2-CG 4.15Å; L1080-R1135 HydrophobicContact CD1-CG 3.76Å; L1080-R1135 HydrophobicContact CD2-CG 3.72Å; L1080-R1135 HydrophobicContact CG-CG 4.43Å; L1080-I1138 HydrophobicContact CD1-CD1 3.53Å; L1080-I1138 HydrophobicContact CD1-CG1 4.46Å |
| 1081 | D | 91.8 | Very high | 90.5 | Very high | 94 Ų | 94 | 64.6 Ų | 64.6 | 50% | 0.503 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59 | -47.9 | 178.8 | -71.5 | -21.5 | 0 | 0 | 0 | 111.9 | E1077 L1083 Q1084 Q1085 | E1077-D1081 PolarHBondContact O-N 3.47Å; D1081-L1083 VanDerWaalsContact C-N 3.27Å; D1081-L1083 PolarHBondContact O-N 2.72Å; D1081-Q1084 PolarHBondContact O-N 2.86Å; D1081-Q1085 VanDerWaalsContact O-CG 3.29Å; D1081-Q1085 WeakPolarHBondContact O-CG 3.26Å; D1081-Q1085 PolarHBondContact O-N 2.87Å |
| 1082 | K | 92.9 | Very high | 91 | Very high | 99 Ų | 99 | 66.3 Ų | 66.3 | 43% | 0.43 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.1 | -32.2 | 177.3 | -72.4 | 170.9 | -174.4 | 161.1 | 0 | 112.3 | L1078 M1079 L1080 E1086 | L1078-K1082 WeakPolarHBondContact O-CD 3.41Å; L1078-K1082 WeakPolarHBondContact O-CG 3.46Å; M1079-K1082 HydrophobicContact CE-CB 4.35Å; M1079-K1082 HydrophobicContact CE-CD 3.97Å; L1080-K1082 PolarHBondContact O-N 3.16Å; K1082-E1086 WeakPolarHBondContact O-CG 3.35Å; K1082-E1086 PolarHBondContact O-N 2.83Å; K1082-E1086 VanDerWaalsContact O-N 3.13Å |
| 1083 | L | 92.4 | Very high | 91.3 | Very high | 15 Ų | 15 | 70.2 Ų | 70.2 | 8% | 0.079 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -77.5 | -33.9 | 177 | -171.3 | 68.8 | 0 | 0 | 0 | 112.2 | M1079 L1080 D1081 E1086 I1087 L1127 L1130 M1131 Y1134 | M1079-L1083 WeakPolarHBondContact O-CB 3.47Å; M1079-L1083 PolarHBondContact O-N 2.86Å; M1079-L1083 VanDerWaalsContact O-N 3.14Å; L1080-L1083 CarbonylContact O-C 3.58Å; L1080-L1083 PolarHBondContact O-N 3.28Å; L1080-L1083 VanDerWaalsContact O-N 3.12Å; D1081-L1083 VanDerWaalsContact C-N 3.27Å; D1081-L1083 PolarHBondContact O-N 2.72Å; L1083-E1086 PolarHBondContact O-N 3.06Å; L1083-I1087 HydrophobicContact CG-CD1 4.33Å; L1083-I1087 WeakPolarHBondContact O-CB 3.33Å; L1083-I1087 VanDerWaalsContact O-CG1 3.27Å; L1083-I1087 WeakPolarHBondContact O-CG1 3.44Å; L1083-I1087 PolarHBondContact O-N 3.43Å; L1083-L1127 HydrophobicContact CD1-CB 4.44Å; L1083-L1127 HydrophobicContact CD1-CD2 3.56Å; L1083-L1130 HydrophobicContact CD1-CB 4.11Å; L1083-L1130 HydrophobicContact CD1-CD1 4.33Å; L1083-L1130 VanDerWaalsContact CD2-C 3.4Å; L1083-L1130 HydrophobicContact CD2-CB 3.6Å; L1083-M1131 VanDerWaalsContact CD2-CA 3.47Å; L1083-M1131 HydrophobicContact CD2-CB 3.84Å; L1083-Y1134 HydrophobicContact CD2-CD2 4.07Å |
| 1084 | Q | 91 | Very high | 91.6 | Very high | 67 Ų | 67 | 70.3 Ų | 70.3 | 31% | 0.313 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.2 | -46 | 171.3 | -171.9 | 60.5 | 61.6 | 0 | 0 | 109.7 | L1080 D1081 E1086 I1087 D1088 | L1080-Q1084 WeakPolarHBondContact O-CB 3.35Å; L1080-Q1084 PolarHBondContact O-N 2.72Å; D1081-Q1084 PolarHBondContact O-N 2.86Å; Q1084-E1086 VanDerWaalsContact C-N 3.31Å; Q1084-E1086 PolarHBondContact O-N 2.94Å; Q1084-I1087 CarbonylContact O-C 3.53Å; Q1084-I1087 WeakPolarHBondContact O-CA 3.42Å; Q1084-I1087 WeakPolarHBondContact O-CB 3.4Å; Q1084-I1087 PolarHBondContact O-N 3.28Å; Q1084-D1088 PolarHBondContact NE2-OD1 2.87Å; Q1084-D1088 PolarHBondContact NE2-OD2 2.8Å; Q1084-D1088 WeakPolarHBondContact O-CB 3.19Å; Q1084-D1088 PolarHBondContact O-N 2.83Å |
| 1085 | Q | 92.6 | Very high | 91.8 | Very high | 113 Ų | 113 | 69.2 Ų | 69.2 | 53% | 0.528 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -58.4 | -37.3 | 173.2 | -69.5 | 166.1 | 17.7 | 0 | 0 | 113.3 | D1081 Q1089 | D1081-Q1085 VanDerWaalsContact O-CG 3.29Å; D1081-Q1085 WeakPolarHBondContact O-CG 3.26Å; D1081-Q1085 PolarHBondContact O-N 2.87Å; Q1085-Q1089 WeakPolarHBondContact O-CB 3.47Å; Q1085-Q1089 VanDerWaalsContact O-CG 3.28Å; Q1085-Q1089 WeakPolarHBondContact O-CG 3.09Å; Q1085-Q1089 PolarHBondContact O-N 2.78Å; Q1085-Q1089 VanDerWaalsContact O-N 3.11Å; Q1085-Q1089 PolarHBondContact O-NE2 3.16Å |
| 1086 | E | 92.9 | Very high | 92 | Very high | 74 Ų | 74 | 67.8 Ų | 67.8 | 35% | 0.346 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -70.8 | -35.6 | 173.1 | -80.5 | -85.8 | 141.5 | 0 | 0 | 112.8 | K1082 L1083 Q1084 E1090 R1123 L1127 | K1082-E1086 WeakPolarHBondContact O-CG 3.35Å; K1082-E1086 PolarHBondContact O-N 2.83Å; K1082-E1086 VanDerWaalsContact O-N 3.13Å; L1083-E1086 PolarHBondContact O-N 3.06Å; Q1084-E1086 VanDerWaalsContact C-N 3.31Å; Q1084-E1086 PolarHBondContact O-N 2.94Å; E1086-E1090 WeakPolarHBondContact O-CB 3.49Å; E1086-E1090 PolarHBondContact O-N 2.58Å; E1086-R1123 IonicContact OE1-NH2 2.66Å; E1086-R1123 IonicContact OE2-CZ 2.72Å; E1086-R1123 IonicContact OE2-NH2 3.06Å; E1086-R1123 PolarHBondContact OE2-NH2 2.95Å; E1086-L1127 HydrophobicContact CB-CD1 4.47Å; E1086-L1127 HydrophobicContact CB-CD2 4.17Å |
| 1087 | I | 92.8 | Very high | 91.9 | Very high | 12 Ų | 12 | 68.6 Ų | 68.6 | 6% | 0.062 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.6 | -45.8 | 173.8 | -75.2 | 166.1 | 0 | 0 | 0 | 110.3 | L1083 Q1084 E1090 L1091 L1124 L1127 M1131 | L1083-I1087 HydrophobicContact CG-CD1 4.33Å; L1083-I1087 WeakPolarHBondContact O-CB 3.33Å; L1083-I1087 VanDerWaalsContact O-CG1 3.27Å; L1083-I1087 WeakPolarHBondContact O-CG1 3.44Å; L1083-I1087 PolarHBondContact O-N 3.43Å; Q1084-I1087 CarbonylContact O-C 3.53Å; Q1084-I1087 WeakPolarHBondContact O-CA 3.42Å; Q1084-I1087 WeakPolarHBondContact O-CB 3.4Å; Q1084-I1087 PolarHBondContact O-N 3.28Å; I1087-E1090 PolarHBondContact O-N 3.19Å; I1087-L1091 HydrophobicContact CG2-CD1 3.82Å; I1087-L1091 HydrophobicContact CG2-CG 4.37Å; I1087-L1091 WeakPolarHBondContact O-CB 3.5Å; I1087-L1091 VanDerWaalsContact O-CG 3.3Å; I1087-L1091 WeakPolarHBondContact O-CG 3.07Å; I1087-L1091 PolarHBondContact O-N 3.36Å; I1087-L1124 HydrophobicContact CG2-CD1 4.02Å; I1087-L1127 HydrophobicContact CD1-CB 4.23Å; I1087-L1127 HydrophobicContact CG1-CB 3.61Å; I1087-L1127 HydrophobicContact CG1-CD1 4.16Å; I1087-L1127 HydrophobicContact CG1-CG 4.44Å; I1087-M1131 HydrophobicContact CD1-CB 4.18Å; I1087-M1131 HydrophobicContact CD1-SD 3.91Å |
| 1088 | D | 92.5 | Very high | 91.8 | Very high | 76 Ų | 76 | 67.5 Ų | 67.5 | 41% | 0.406 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -68.6 | -40 | -177 | -60.9 | -26.7 | 0 | 0 | 0 | 111.2 | Q1084 L1091 E1092 | Q1084-D1088 PolarHBondContact NE2-OD1 2.87Å; Q1084-D1088 PolarHBondContact NE2-OD2 2.8Å; Q1084-D1088 WeakPolarHBondContact O-CB 3.19Å; Q1084-D1088 PolarHBondContact O-N 2.83Å; D1088-L1091 PolarHBondContact O-N 2.78Å; D1088-E1092 PolarHBondContact O-N 2.99Å |
| 1089 | Q | 92.8 | Very high | 91.6 | Very high | 109 Ų | 109 | 67.7 Ų | 67.7 | 51% | 0.509 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.6 | -40.2 | 170.3 | -77.7 | 170.3 | 77.1 | 0 | 0 | 112.8 | Q1085 E1092 H1093 | Q1085-Q1089 WeakPolarHBondContact O-CB 3.47Å; Q1085-Q1089 VanDerWaalsContact O-CG 3.28Å; Q1085-Q1089 WeakPolarHBondContact O-CG 3.09Å; Q1085-Q1089 PolarHBondContact O-N 2.78Å; Q1085-Q1089 VanDerWaalsContact O-N 3.11Å; Q1085-Q1089 PolarHBondContact O-NE2 3.16Å; Q1089-E1092 PolarHBondContact O-N 2.87Å; Q1089-H1093 WeakPolarHBondContact O-CB 3.37Å; Q1089-H1093 PolarHBondContact O-N 3.09Å |
| 1090 | E | 91.9 | Very high | 91.5 | Very high | 7 Ų | 7 | 68 Ų | 68 | 3% | 0.033 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -72 | -32 | 177.1 | -172.1 | 58.6 | -145.3 | 0 | 0 | 111.9 | E1086 I1087 H1093 N1094 S1120 R1123 L1124 L1127 | E1086-E1090 WeakPolarHBondContact O-CB 3.49Å; E1086-E1090 PolarHBondContact O-N 2.58Å; I1087-E1090 PolarHBondContact O-N 3.19Å; E1090-H1093 PolarHBondContact O-N 3.2Å; E1090-H1093 IonicContact OE1-CD2 3.01Å; E1090-N1094 VanDerWaalsContact O-CB 3.31Å; E1090-N1094 WeakPolarHBondContact O-CB 3.45Å; E1090-N1094 PolarHBondContact O-N 2.8Å; E1090-S1120 WeakPolarHBondContact OE1-CA 3.22Å; E1090-S1120 WeakPolarHBondContact OE1-CB 3.37Å; E1090-S1120 PolarHBondContact OE1-OG 2.99Å; E1090-R1123 HydrophobicContact CG-CB 4.31Å; E1090-R1123 HydrophobicContact CG-CG 4.08Å; E1090-R1123 VanDerWaalsContact OE2-CD 3.24Å; E1090-R1123 WeakPolarHBondContact OE2-CD 3.48Å; E1090-R1123 IonicContact OE2-CZ 3.53Å; E1090-R1123 VanDerWaalsContact OE2-CZ 3.27Å; E1090-R1123 IonicContact OE2-NE 2.72Å; E1090-R1123 PolarHBondContact OE2-NE 3.34Å; E1090-R1123 IonicContact OE2-NH1 2.71Å; E1090-R1123 PolarHBondContact OE2-NH1 3.09Å; E1090-L1124 HydrophobicContact CG-CB 4.39Å; E1090-L1127 HydrophobicContact CB-CD1 4.03Å; E1090-L1127 HydrophobicContact CG-CD1 4.38Å |
| 1091 | L | 91.3 | Very high | 91.3 | Very high | 65 Ų | 65 | 69.3 Ų | 69.3 | 34% | 0.34 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.4 | -42.2 | 171 | -76.2 | 169.9 | 0 | 0 | 0 | 111.7 | I1087 D1088 N1094 N1095 L1124 | I1087-L1091 HydrophobicContact CG2-CD1 3.82Å; I1087-L1091 HydrophobicContact CG2-CG 4.37Å; I1087-L1091 WeakPolarHBondContact O-CB 3.5Å; I1087-L1091 VanDerWaalsContact O-CG 3.3Å; I1087-L1091 WeakPolarHBondContact O-CG 3.07Å; I1087-L1091 PolarHBondContact O-N 3.36Å; D1088-L1091 PolarHBondContact O-N 2.78Å; L1091-N1094 PolarHBondContact O-N 3.16Å; L1091-N1095 WeakPolarHBondContact O-CB 3.38Å; L1091-N1095 VanDerWaalsContact O-CG 3.32Å; L1091-N1095 PolarHBondContact O-N 2.95Å; L1091-N1095 PolarHBondContact O-ND2 2.7Å; L1091-L1124 HydrophobicContact CD2-CD1 3.97Å; L1091-L1124 HydrophobicContact CD2-CD2 3.66Å; L1091-L1124 HydrophobicContact CD2-CG 4.49Å; L1091-L1124 HydrophobicContact CG-CD1 3.89Å; L1091-L1124 HydrophobicContact CG-CD2 4.49Å |
| 1092 | E | 92.2 | Very high | 91.1 | Very high | 144 Ų | 144 | 71 Ų | 71 | 67% | 0.673 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -62.3 | -44.6 | 173.2 | -172.6 | 176.1 | -158.8 | 0 | 0 | 110.9 | D1088 Q1089 N1094 N1095 A1096 | D1088-E1092 PolarHBondContact O-N 2.99Å; Q1089-E1092 PolarHBondContact O-N 2.87Å; E1092-N1094 PolarHBondContact O-N 3.25Å; E1092-N1095 PolarHBondContact O-N 3.01Å; E1092-A1096 WeakPolarHBondContact O-CB 3.43Å; E1092-A1096 PolarHBondContact O-N 2.73Å |
| 1093 | H | 91.8 | Very high | 90.7 | Very high | 96 Ų | 96 | 73.2 Ų | 73.2 | 44% | 0.444 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60 | -42.9 | 174 | -174.2 | 49.3 | 0 | 0 | 0 | 112.4 | Q1089 E1090 A1096 L1097 | Q1089-H1093 WeakPolarHBondContact O-CB 3.37Å; Q1089-H1093 PolarHBondContact O-N 3.09Å; E1090-H1093 PolarHBondContact O-N 3.2Å; E1090-H1093 IonicContact OE1-CD2 3.01Å; H1093-A1096 PolarHBondContact O-N 2.91Å; H1093-L1097 WeakPolarHBondContact O-CG 3.29Å; H1093-L1097 PolarHBondContact O-N 2.95Å |
| 1094 | N | 92.2 | Very high | 90.3 | Very high | 32 Ų | 32 | 72.9 Ų | 72.9 | 17% | 0.171 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.5 | -46.8 | 175.8 | -162.8 | -90.4 | 0 | 0 | 0 | 111.5 | E1090 L1091 E1092 A1096 L1097 M1098 S1120 | E1090-N1094 VanDerWaalsContact O-CB 3.31Å; E1090-N1094 WeakPolarHBondContact O-CB 3.45Å; E1090-N1094 PolarHBondContact O-N 2.8Å; L1091-N1094 PolarHBondContact O-N 3.16Å; E1092-N1094 PolarHBondContact O-N 3.25Å; N1094-A1096 PolarHBondContact O-N 3.26Å; N1094-L1097 PolarHBondContact O-N 3.12Å; N1094-M1098 WeakPolarHBondContact O-CB 3.42Å; N1094-M1098 VanDerWaalsContact O-CG 3.28Å; N1094-M1098 WeakPolarHBondContact O-CG 3.4Å; N1094-M1098 PolarHBondContact O-N 3.39Å; N1094-S1120 WeakPolarHBondContact CB-OG 3.44Å; N1094-S1120 WeakPolarHBondContact ND2-CB 3.34Å; N1094-S1120 PolarHBondContact ND2-OG 3.28Å |
| 1095 | N | 91.9 | Very high | 89.7 | Confident | 101 Ų | 101 | 76.4 Ų | 76.4 | 54% | 0.54 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 177.6 | -77.3 | -47 | 0 | 0 | 0 | 112.1 | L1091 E1092 M1098 M1099 | L1091-N1095 WeakPolarHBondContact O-CB 3.38Å; L1091-N1095 VanDerWaalsContact O-CG 3.32Å; L1091-N1095 PolarHBondContact O-N 2.95Å; L1091-N1095 PolarHBondContact O-ND2 2.7Å; E1092-N1095 PolarHBondContact O-N 3.01Å; N1095-M1098 PolarHBondContact O-N 2.77Å; N1095-M1099 WeakPolarHBondContact O-CG 3.5Å; N1095-M1099 PolarHBondContact O-N 3.33Å |
| 1096 | A | 91.5 | Very high | 89.4 | Confident | 59 Ų | 59 | 74.8 Ų | 74.8 | 49% | 0.488 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.3 | -45.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E1092 H1093 N1094 M1098 M1099 E1100 | E1092-A1096 WeakPolarHBondContact O-CB 3.43Å; E1092-A1096 PolarHBondContact O-N 2.73Å; H1093-A1096 PolarHBondContact O-N 2.91Å; N1094-A1096 PolarHBondContact O-N 3.26Å; A1096-M1098 PolarHBondContact O-N 3.25Å; A1096-M1099 PolarHBondContact O-N 3.23Å; A1096-E1100 PolarHBondContact O-N 2.85Å |
| 1097 | L | 89.3 | Confident | 88.8 | Confident | 16 Ų | 16 | 75.9 Ų | 75.9 | 8% | 0.084 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.2 | -37 | 174.4 | -71.1 | 171.8 | 0 | 0 | 0 | 112.5 | H1093 N1094 M1099 E1100 E1101 I1113 A1116 L1117 | H1093-L1097 WeakPolarHBondContact O-CG 3.29Å; H1093-L1097 PolarHBondContact O-N 2.95Å; N1094-L1097 PolarHBondContact O-N 3.12Å; L1097-M1099 VanDerWaalsContact C-N 3.28Å; L1097-M1099 PolarHBondContact O-N 3.18Å; L1097-E1100 PolarHBondContact O-N 3.47Å; L1097-E1101 PolarHBondContact O-N 2.8Å; L1097-I1113 HydrophobicContact CB-CG2 4.33Å; L1097-I1113 HydrophobicContact CD2-CG2 4.35Å; L1097-I1113 VanDerWaalsContact O-CG2 3.29Å; L1097-I1113 WeakPolarHBondContact O-CG2 3.28Å; L1097-A1116 HydrophobicContact CD1-CB 3.8Å; L1097-A1116 HydrophobicContact CD2-CB 4.06Å; L1097-L1117 HydrophobicContact CB-CD2 3.47Å; L1097-L1117 VanDerWaalsContact CB-CD2 3.47Å; L1097-L1117 HydrophobicContact CB-CG 3.9Å; L1097-L1117 HydrophobicContact CD1-CD2 4.38Å |
| 1098 | M | 87.8 | Confident | 88.3 | Confident | 68 Ų | 68 | 84.2 Ų | 84.2 | 34% | 0.335 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -67.4 | -27.2 | 175.6 | -75.6 | -64.9 | -68.8 | 0 | 0 | 112.6 | N1094 N1095 A1096 K1102 L1117 | N1094-M1098 WeakPolarHBondContact O-CB 3.42Å; N1094-M1098 VanDerWaalsContact O-CG 3.28Å; N1094-M1098 WeakPolarHBondContact O-CG 3.4Å; N1094-M1098 PolarHBondContact O-N 3.39Å; N1095-M1098 PolarHBondContact O-N 2.77Å; A1096-M1098 PolarHBondContact O-N 3.25Å; M1098-K1102 VanDerWaalsContact O-CD 3.29Å; M1098-K1102 WeakPolarHBondContact O-CD 3.35Å; M1098-K1102 WeakPolarHBondContact O-CE 3.42Å; M1098-K1102 VanDerWaalsContact O-CG 3.31Å; M1098-K1102 WeakPolarHBondContact O-CG 3.21Å; M1098-L1117 HydrophobicContact CG-CD2 3.65Å; M1098-L1117 HydrophobicContact SD-CD1 3.68Å; M1098-L1117 HydrophobicContact SD-CD2 3.73Å; M1098-L1117 HydrophobicContact SD-CG 4.34Å |
| 1099 | M | 89.3 | Confident | 88 | Confident | 92 Ų | 92 | 85.8 Ų | 85.8 | 45% | 0.453 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -78.7 | -43.7 | 170.4 | -68.7 | -58.8 | -67.8 | 0 | 0 | 111.1 | N1095 A1096 L1097 E1101 K1102 E1103 | N1095-M1099 WeakPolarHBondContact O-CG 3.5Å; N1095-M1099 PolarHBondContact O-N 3.33Å; A1096-M1099 PolarHBondContact O-N 3.23Å; L1097-M1099 VanDerWaalsContact C-N 3.28Å; L1097-M1099 PolarHBondContact O-N 3.18Å; M1099-E1101 VanDerWaalsContact C-N 3.26Å; M1099-E1101 PolarHBondContact O-N 2.77Å; M1099-K1102 WeakPolarHBondContact O-CB 3.18Å; M1099-K1102 PolarHBondContact O-N 3.36Å; M1099-K1102 HydrophobicContact SD-CD 4.01Å; M1099-K1102 PolarHBondContact SD-NZ 3.06Å; M1099-E1103 PolarHBondContact O-N 3.36Å |
| 1100 | E | 88 | Confident | 87.7 | Confident | 63 Ų | 63 | 84.1 Ų | 84.1 | 29% | 0.294 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.5 | -34.9 | 176 | -154.6 | -161.4 | 146.9 | 0 | 0 | 112.2 | A1096 L1097 K1102 E1103 A1104 R1109 I1113 | A1096-E1100 PolarHBondContact O-N 2.85Å; L1097-E1100 PolarHBondContact O-N 3.47Å; E1100-K1102 VanDerWaalsContact C-N 3.33Å; E1100-K1102 PolarHBondContact O-N 2.92Å; E1100-E1103 PolarHBondContact O-N 2.91Å; E1100-A1104 WeakPolarHBondContact O-CB 3.45Å; E1100-A1104 PolarHBondContact O-N 3.02Å; E1100-R1109 IonicContact OE1-CZ 2.71Å; E1100-R1109 IonicContact OE1-NE 3.62Å; E1100-R1109 PolarHBondContact OE1-NE 3.31Å; E1100-R1109 IonicContact OE1-NH2 3.45Å; E1100-R1109 PolarHBondContact OE1-NH2 3.15Å; E1100-I1113 HydrophobicContact CB-CD1 4.06Å; E1100-I1113 HydrophobicContact CG-CD1 3.79Å; E1100-I1113 WeakPolarHBondContact OE1-CD1 3.37Å |
| 1101 | E | 88.8 | Confident | 87.3 | Confident | 53 Ų | 53 | 86.4 Ų | 86.4 | 25% | 0.248 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -62.7 | -39.9 | 175.1 | -168.6 | -174.9 | -135.2 | 0 | 0 | 111.8 | L1097 M1099 K1110 I1113 C1114 L1117 | L1097-E1101 PolarHBondContact O-N 2.8Å; M1099-E1101 VanDerWaalsContact C-N 3.26Å; M1099-E1101 PolarHBondContact O-N 2.77Å; E1101-K1110 PolarHBondContact O-NZ 2.84Å; E1101-I1113 HydrophobicContact CB-CG2 3.79Å; E1101-I1113 HydrophobicContact CG-CG2 4.42Å; E1101-C1114 PolarHBondContact OE1-SG 3.36Å; E1101-L1117 HydrophobicContact CB-CD1 4.28Å |
| 1102 | K | 86.4 | Confident | 87.2 | Confident | 131 Ų | 131 | 89 Ų | 89 | 57% | 0.57 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -69.6 | -45.2 | 179.1 | -65.4 | 163 | -165.9 | 162.7 | 0 | 111 | M1098 M1099 E1100 | M1098-K1102 VanDerWaalsContact O-CD 3.29Å; M1098-K1102 WeakPolarHBondContact O-CD 3.35Å; M1098-K1102 WeakPolarHBondContact O-CE 3.42Å; M1098-K1102 VanDerWaalsContact O-CG 3.31Å; M1098-K1102 WeakPolarHBondContact O-CG 3.21Å; M1099-K1102 WeakPolarHBondContact O-CB 3.18Å; M1099-K1102 PolarHBondContact O-N 3.36Å; M1099-K1102 HydrophobicContact SD-CD 4.01Å; M1099-K1102 PolarHBondContact SD-NZ 3.06Å; E1100-K1102 VanDerWaalsContact C-N 3.33Å; E1100-K1102 PolarHBondContact O-N 2.92Å |
| 1103 | E | 86.1 | Confident | 87 | Confident | 144 Ų | 144 | 82.5 Ų | 82.5 | 67% | 0.673 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -72.8 | -30.3 | -178.9 | -68.8 | 177.6 | -167.7 | 0 | 0 | 113.5 | M1099 E1100 T1105 | M1099-E1103 PolarHBondContact O-N 3.36Å; E1100-E1103 PolarHBondContact O-N 2.91Å; E1103-T1105 PolarHBondContact O-N 2.88Å |
| 1104 | A | 83.5 | Confident | 86.6 | Confident | 8 Ų | 8 | 80.5 Ų | 80.5 | 7% | 0.066 | 42% | 0.42 | C | S | . | . | trans | -62.8 | 121.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | E1100 R1109 K1110 I1113 | E1100-A1104 WeakPolarHBondContact O-CB 3.45Å; E1100-A1104 PolarHBondContact O-N 3.02Å; A1104-R1109 HydrophobicContact CB-CB 4.36Å; A1104-R1109 HydrophobicContact CB-CG 4.09Å; A1104-K1110 HydrophobicContact CB-CG 3.98Å; A1104-K1110 WeakPolarHBondContact O-CE 3.48Å; A1104-K1110 PolarHBondContact O-NZ 2.76Å; A1104-I1113 HydrophobicContact CB-CD1 3.91Å | ||
| 1105 | T | 78.1 | Confident | 86.5 | Confident | 142 Ų | 142 | 82.7 Ų | 82.7 | 87% | 0.871 | 43% | 0.434 | S | S | * | . | trans | -92.8 | -26.6 | 174.1 | 51.4 | 0 | 0 | 0 | 0 | 113.2 | E1103 | E1103-T1105 PolarHBondContact O-N 2.88Š| ||
| 1106 | D | 86.1 | Confident | 86.3 | Confident | 79 Ų | 79 | 79.5 Ų | 79.5 | 42% | 0.422 | 42% | 0.422 | S | S | . | . | trans | -75.1 | 123.8 | 176.9 | 168.4 | 32 | 0 | 0 | 0 | 112.2 | R1108 R1109 K1110 | D1106-R1108 VanDerWaalsContact C-N 3.26Å; D1106-R1108 PolarHBondContact O-N 2.92Å; D1106-R1108 PolarHBondContact OD1-N 2.87Å; D1106-R1108 WeakPolarHBondContact OD2-CB 3.44Å; D1106-R1109 HydrophobicContact CB-CB 4.01Å; D1106-R1109 PolarHBondContact O-N 3.04Å; D1106-R1109 PolarHBondContact OD2-N 2.88Å; D1106-K1110 PolarHBondContact O-N 3.39Å | ||
| 1107 | S | 81.4 | Confident | 86.2 | Confident | 96 Ų | 96 | 77.7 Ų | 77.7 | 67% | 0.671 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -55.2 | -34.4 | 174.1 | 64 | 0 | 0 | 0 | 0 | 114.3 | A1111 | S1107-A1111 PolarHBondContact O-N 3.44Å; S1107-A1111 VanDerWaalsContact O-N 3.09Å |
| 1108 | R | 82.4 | Confident | 86.1 | Confident | 187 Ų | 187 | 79.5 Ų | 79.5 | 71% | 0.706 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -75.1 | -37.7 | 178.4 | -175.2 | 179 | 180 | 178.2 | -0.1 | 111.4 | D1106 L1112 | D1106-R1108 VanDerWaalsContact C-N 3.26Å; D1106-R1108 PolarHBondContact O-N 2.92Å; D1106-R1108 PolarHBondContact OD1-N 2.87Å; D1106-R1108 WeakPolarHBondContact OD2-CB 3.44Å; R1108-L1112 PolarHBondContact O-N 3.31Å |
| 1109 | R | 84.3 | Confident | 86.2 | Confident | 110 Ų | 110 | 82.8 Ų | 82.8 | 42% | 0.415 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.6 | -49.7 | 169.9 | -169.2 | 179.9 | -173.2 | 86.1 | -7.2 | 111.2 | E1100 A1104 D1106 A1111 L1112 I1113 | E1100-R1109 IonicContact OE1-CZ 2.71Å; E1100-R1109 IonicContact OE1-NE 3.62Å; E1100-R1109 PolarHBondContact OE1-NE 3.31Å; E1100-R1109 IonicContact OE1-NH2 3.45Å; E1100-R1109 PolarHBondContact OE1-NH2 3.15Å; A1104-R1109 HydrophobicContact CB-CB 4.36Å; A1104-R1109 HydrophobicContact CB-CG 4.09Å; D1106-R1109 HydrophobicContact CB-CB 4.01Å; D1106-R1109 PolarHBondContact O-N 3.04Å; D1106-R1109 PolarHBondContact OD2-N 2.88Å; R1109-A1111 PolarHBondContact O-N 2.94Å; R1109-L1112 PolarHBondContact O-N 3.19Å; R1109-L1112 VanDerWaalsContact O-N 3.15Å; R1109-I1113 HydrophobicContact CG-CD1 3.91Å; R1109-I1113 WeakPolarHBondContact O-CG1 3.3Å; R1109-I1113 PolarHBondContact O-N 3.39Å; R1109-I1113 VanDerWaalsContact O-N 3.1Å |
| 1110 | K | 86.6 | Confident | 86.3 | Confident | 73 Ų | 73 | 78.6 Ų | 78.6 | 32% | 0.317 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -52.3 | -52.4 | 176.2 | -74.4 | -171.2 | -172.4 | -70.8 | 0 | 111.5 | E1101 A1104 D1106 L1112 I1113 C1114 | E1101-K1110 PolarHBondContact O-NZ 2.84Å; A1104-K1110 HydrophobicContact CB-CG 3.98Å; A1104-K1110 WeakPolarHBondContact O-CE 3.48Å; A1104-K1110 PolarHBondContact O-NZ 2.76Å; D1106-K1110 PolarHBondContact O-N 3.39Å; K1110-L1112 PolarHBondContact O-N 2.84Å; K1110-L1112 VanDerWaalsContact O-N 3.13Å; K1110-I1113 CarbonylContact O-C 3.59Å; K1110-I1113 WeakPolarHBondContact O-CA 3.4Å; K1110-I1113 WeakPolarHBondContact O-CB 3.06Å; K1110-I1113 PolarHBondContact O-N 3.29Å; K1110-C1114 PolarHBondContact O-N 3.27Å; K1110-C1114 PolarHBondContact O-SG 2.83Å |
| 1111 | A | 85.1 | Confident | 86.2 | Confident | 55 Ų | 55 | 77.3 Ų | 77.3 | 46% | 0.455 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -57.3 | -32.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | S1107 R1109 T1115 | S1107-A1111 PolarHBondContact O-N 3.44Å; S1107-A1111 VanDerWaalsContact O-N 3.09Å; R1109-A1111 PolarHBondContact O-N 2.94Å; A1111-T1115 PolarHBondContact O-N 2.89Å; A1111-T1115 PolarHBondContact O-OG1 2.89Å |
| 1112 | L | 87.6 | Confident | 86.2 | Confident | 120 Ų | 120 | 80 Ų | 80 | 63% | 0.628 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -72.2 | -40.2 | 173.2 | -68.9 | 170.4 | 0 | 0 | 0 | 111.9 | R1108 R1109 K1110 T1115 A1116 | R1108-L1112 PolarHBondContact O-N 3.31Å; R1109-L1112 PolarHBondContact O-N 3.19Å; R1109-L1112 VanDerWaalsContact O-N 3.15Å; K1110-L1112 PolarHBondContact O-N 2.84Å; K1110-L1112 VanDerWaalsContact O-N 3.13Å; L1112-T1115 WeakPolarHBondContact O-CB 3.49Å; L1112-T1115 PolarHBondContact O-N 2.86Å; L1112-A1116 PolarHBondContact O-N 2.88Å |
| 1113 | I | 88.3 | Confident | 86.4 | Confident | 8 Ų | 8 | 79 Ų | 79 | 4% | 0.041 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -66.3 | -44.3 | 176.2 | -60 | 163.9 | 0 | 0 | 0 | 110.8 | L1097 E1100 E1101 A1104 R1109 K1110 T1115 A1116 L1117 | L1097-I1113 HydrophobicContact CB-CG2 4.33Å; L1097-I1113 HydrophobicContact CD2-CG2 4.35Å; L1097-I1113 VanDerWaalsContact O-CG2 3.29Å; L1097-I1113 WeakPolarHBondContact O-CG2 3.28Å; E1100-I1113 HydrophobicContact CB-CD1 4.06Å; E1100-I1113 HydrophobicContact CG-CD1 3.79Å; E1100-I1113 WeakPolarHBondContact OE1-CD1 3.37Å; E1101-I1113 HydrophobicContact CB-CG2 3.79Å; E1101-I1113 HydrophobicContact CG-CG2 4.42Å; A1104-I1113 HydrophobicContact CB-CD1 3.91Å; R1109-I1113 HydrophobicContact CG-CD1 3.91Å; R1109-I1113 WeakPolarHBondContact O-CG1 3.3Å; R1109-I1113 PolarHBondContact O-N 3.39Å; R1109-I1113 VanDerWaalsContact O-N 3.1Å; K1110-I1113 CarbonylContact O-C 3.59Å; K1110-I1113 WeakPolarHBondContact O-CA 3.4Å; K1110-I1113 WeakPolarHBondContact O-CB 3.06Å; K1110-I1113 PolarHBondContact O-N 3.29Å; I1113-T1115 PolarHBondContact O-N 3.32Å; I1113-A1116 CarbonylContact O-C 3.57Å; I1113-A1116 WeakPolarHBondContact O-CA 3.5Å; I1113-A1116 WeakPolarHBondContact O-CB 3.22Å; I1113-A1116 PolarHBondContact O-N 2.9Å; I1113-L1117 HydrophobicContact CG2-CD1 4.01Å; I1113-L1117 HydrophobicContact CG2-CG 4.3Å; I1113-L1117 WeakPolarHBondContact O-CG 3.33Å; I1113-L1117 PolarHBondContact O-N 2.99Å |
| 1114 | C | 85 | Confident | 86.6 | Confident | 54 Ų | 54 | 74 Ų | 74 | 37% | 0.365 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -55 | -36.4 | 172.7 | -49.1 | 0 | 0 | 0 | 0 | 111.8 | E1101 K1110 A1118 | E1101-C1114 PolarHBondContact OE1-SG 3.36Å; K1110-C1114 PolarHBondContact O-N 3.27Å; K1110-C1114 PolarHBondContact O-SG 2.83Å; C1114-A1118 WeakPolarHBondContact O-CB 3.43Å; C1114-A1118 PolarHBondContact O-N 3.02Å |
| 1115 | T | 88.9 | Confident | 86.7 | Confident | 77 Ų | 77 | 77.7 Ų | 77.7 | 47% | 0.472 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -73.8 | -30.1 | 177.8 | -54.9 | 0 | 0 | 0 | 0 | 112.4 | A1111 L1112 I1113 K1119 | A1111-T1115 PolarHBondContact O-N 2.89Å; A1111-T1115 PolarHBondContact O-OG1 2.89Å; L1112-T1115 WeakPolarHBondContact O-CB 3.49Å; L1112-T1115 PolarHBondContact O-N 2.86Å; I1113-T1115 PolarHBondContact O-N 3.32Å; T1115-K1119 WeakPolarHBondContact O-CG 3.2Å; T1115-K1119 PolarHBondContact O-N 2.8Å |
| 1116 | A | 87.9 | Confident | 87.2 | Confident | 34 Ų | 34 | 73.3 Ų | 73.3 | 28% | 0.281 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -73 | -45.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1097 L1112 I1113 A1118 K1119 S1120 | L1097-A1116 HydrophobicContact CD1-CB 3.8Å; L1097-A1116 HydrophobicContact CD2-CB 4.06Å; L1112-A1116 PolarHBondContact O-N 2.88Å; I1113-A1116 CarbonylContact O-C 3.57Å; I1113-A1116 WeakPolarHBondContact O-CA 3.5Å; I1113-A1116 WeakPolarHBondContact O-CB 3.22Å; I1113-A1116 PolarHBondContact O-N 2.9Å; A1116-A1118 VanDerWaalsContact C-N 3.32Å; A1116-A1118 PolarHBondContact O-N 3.47Å; A1116-K1119 PolarHBondContact O-N 2.83Å; A1116-K1119 VanDerWaalsContact O-N 3.14Å; A1116-S1120 WeakPolarHBondContact O-CB 3.23Å; A1116-S1120 PolarHBondContact O-N 3.36Å |
| 1117 | L | 88.8 | Confident | 87.4 | Confident | 21 Ų | 21 | 70.2 Ų | 70.2 | 11% | 0.11 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -57.1 | -41.8 | 175 | -74.4 | 168.9 | 0 | 0 | 0 | 112.5 | L1097 M1098 E1101 I1113 S1120 G1121 | L1097-L1117 HydrophobicContact CB-CD2 3.47Å; L1097-L1117 VanDerWaalsContact CB-CD2 3.47Å; L1097-L1117 HydrophobicContact CB-CG 3.9Å; L1097-L1117 HydrophobicContact CD1-CD2 4.38Å; M1098-L1117 HydrophobicContact CG-CD2 3.65Å; M1098-L1117 HydrophobicContact SD-CD1 3.68Å; M1098-L1117 HydrophobicContact SD-CD2 3.73Å; M1098-L1117 HydrophobicContact SD-CG 4.34Å; E1101-L1117 HydrophobicContact CB-CD1 4.28Å; I1113-L1117 HydrophobicContact CG2-CD1 4.01Å; I1113-L1117 HydrophobicContact CG2-CG 4.3Å; I1113-L1117 WeakPolarHBondContact O-CG 3.33Å; I1113-L1117 PolarHBondContact O-N 2.99Å; L1117-S1120 PolarHBondContact O-N 3.02Å; L1117-G1121 PolarHBondContact O-N 3.26Å |
| 1118 | A | 88.4 | Confident | 87.8 | Confident | 55 Ų | 55 | 68 Ų | 68 | 46% | 0.455 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.9 | -46 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | C1114 A1116 G1121 E1122 | C1114-A1118 WeakPolarHBondContact O-CB 3.43Å; C1114-A1118 PolarHBondContact O-N 3.02Å; A1116-A1118 VanDerWaalsContact C-N 3.32Å; A1116-A1118 PolarHBondContact O-N 3.47Å; A1118-G1121 PolarHBondContact O-N 2.66Å; A1118-E1122 WeakPolarHBondContact O-CG 3.14Å; A1118-E1122 PolarHBondContact O-N 3.1Å |
| 1119 | K | 89.8 | Confident | 88 | Confident | 137 Ų | 137 | 60.7 Ų | 60.7 | 60% | 0.596 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -67.1 | -35.7 | 176.8 | -70.2 | 175.8 | 178.6 | -177.6 | 0 | 113 | T1115 A1116 E1122 R1123 | T1115-K1119 WeakPolarHBondContact O-CG 3.2Å; T1115-K1119 PolarHBondContact O-N 2.8Å; A1116-K1119 PolarHBondContact O-N 2.83Å; A1116-K1119 VanDerWaalsContact O-N 3.14Å; K1119-E1122 PolarHBondContact O-N 3.12Å; K1119-R1123 PolarHBondContact O-N 2.8Å |
| 1120 | S | 90.5 | Very high | 88.2 | Confident | 4 Ų | 4 | 59.1 Ų | 59.1 | 3% | 0.028 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.4 | -43.7 | 174.8 | 176.2 | 0 | 0 | 0 | 0 | 110.7 | E1090 N1094 A1116 L1117 E1122 R1123 L1124 | E1090-S1120 WeakPolarHBondContact OE1-CA 3.22Å; E1090-S1120 WeakPolarHBondContact OE1-CB 3.37Å; E1090-S1120 PolarHBondContact OE1-OG 2.99Å; N1094-S1120 WeakPolarHBondContact CB-OG 3.44Å; N1094-S1120 WeakPolarHBondContact ND2-CB 3.34Å; N1094-S1120 PolarHBondContact ND2-OG 3.28Å; A1116-S1120 WeakPolarHBondContact O-CB 3.23Å; A1116-S1120 PolarHBondContact O-N 3.36Å; L1117-S1120 PolarHBondContact O-N 3.02Å; S1120-E1122 PolarHBondContact O-N 3.29Å; S1120-R1123 PolarHBondContact O-N 3.14Å; S1120-L1124 WeakPolarHBondContact O-CB 3.48Å; S1120-L1124 PolarHBondContact O-N 2.87Å |
| 1121 | G | 87.2 | Confident | 88.4 | Confident | 35 Ų | 35 | 57.1 Ų | 57.1 | 36% | 0.361 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.8 | -40.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1117 A1118 Q1125 | L1117-G1121 PolarHBondContact O-N 3.26Å; A1118-G1121 PolarHBondContact O-N 2.66Å; G1121-Q1125 VanDerWaalsContact O-CB 3.27Å; G1121-Q1125 WeakPolarHBondContact O-CB 3.27Å; G1121-Q1125 PolarHBondContact O-N 2.99Å |
| 1122 | E | 87.8 | Confident | 88.6 | Confident | 111 Ų | 111 | 56.2 Ų | 56.2 | 52% | 0.519 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.7 | -42.7 | 172.6 | -72.9 | 174.4 | 175.4 | 0 | 0 | 112.1 | A1118 K1119 S1120 Q1125 A1126 | A1118-E1122 WeakPolarHBondContact O-CG 3.14Å; A1118-E1122 PolarHBondContact O-N 3.1Å; K1119-E1122 PolarHBondContact O-N 3.12Å; S1120-E1122 PolarHBondContact O-N 3.29Å; E1122-Q1125 PolarHBondContact O-N 3.14Å; E1122-A1126 PolarHBondContact O-N 2.84Å |
| 1123 | R | 89.8 | Confident | 88.6 | Confident | 108 Ų | 108 | 52.1 Ų | 52.1 | 41% | 0.408 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.5 | -47.6 | 175.5 | 179.5 | 168.3 | 170.9 | -153.8 | 7.2 | 111.3 | E1086 E1090 K1119 S1120 Q1125 A1126 L1127 | E1086-R1123 IonicContact OE1-NH2 2.66Å; E1086-R1123 IonicContact OE2-CZ 2.72Å; E1086-R1123 IonicContact OE2-NH2 3.06Å; E1086-R1123 PolarHBondContact OE2-NH2 2.95Å; E1090-R1123 HydrophobicContact CG-CB 4.31Å; E1090-R1123 HydrophobicContact CG-CG 4.08Å; E1090-R1123 VanDerWaalsContact OE2-CD 3.24Å; E1090-R1123 WeakPolarHBondContact OE2-CD 3.48Å; E1090-R1123 IonicContact OE2-CZ 3.53Å; E1090-R1123 VanDerWaalsContact OE2-CZ 3.27Å; E1090-R1123 IonicContact OE2-NE 2.72Å; E1090-R1123 PolarHBondContact OE2-NE 3.34Å; E1090-R1123 IonicContact OE2-NH1 2.71Å; E1090-R1123 PolarHBondContact OE2-NH1 3.09Å; K1119-R1123 PolarHBondContact O-N 2.8Å; S1120-R1123 PolarHBondContact O-N 3.14Å; R1123-Q1125 VanDerWaalsContact C-N 3.29Å; R1123-Q1125 PolarHBondContact O-N 3.33Å; R1123-A1126 WeakPolarHBondContact O-CB 3.19Å; R1123-A1126 PolarHBondContact O-N 3.36Å; R1123-A1126 VanDerWaalsContact O-N 3.09Å; R1123-L1127 HydrophobicContact CG-CD1 3.92Å; R1123-L1127 HydrophobicContact CG-CG 4.22Å; R1123-L1127 WeakPolarHBondContact O-CG 3.49Å; R1123-L1127 PolarHBondContact O-N 3Å |
| 1124 | L | 90.6 | Very high | 88.7 | Confident | 39 Ų | 39 | 53.7 Ų | 53.7 | 20% | 0.204 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.3 | -39.8 | 177.4 | -174 | 67.2 | 0 | 0 | 0 | 111.7 | I1087 E1090 L1091 S1120 L1127 T1128 | I1087-L1124 HydrophobicContact CG2-CD1 4.02Å; E1090-L1124 HydrophobicContact CG-CB 4.39Å; L1091-L1124 HydrophobicContact CD2-CD1 3.97Å; L1091-L1124 HydrophobicContact CD2-CD2 3.66Å; L1091-L1124 HydrophobicContact CD2-CG 4.49Å; L1091-L1124 HydrophobicContact CG-CD1 3.89Å; L1091-L1124 HydrophobicContact CG-CD2 4.49Å; S1120-L1124 WeakPolarHBondContact O-CB 3.48Å; S1120-L1124 PolarHBondContact O-N 2.87Å; L1124-L1127 PolarHBondContact O-N 2.72Å; L1124-T1128 WeakPolarHBondContact O-CB 3.43Å; L1124-T1128 PolarHBondContact O-N 3.34Å; L1124-T1128 PolarHBondContact O-OG1 2.9Å |
| 1125 | Q | 86.7 | Confident | 88.9 | Confident | 86 Ų | 86 | 56.7 Ų | 56.7 | 40% | 0.402 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.3 | -41.5 | 173.8 | -178.7 | 171.6 | 93.2 | 0 | 0 | 112 | L1048 G1121 E1122 R1123 T1128 L1129 | L1048-Q1125 HydrophobicContact CD1-CG 3.69Å; L1048-Q1125 HydrophobicContact CG-CG 4.44Å; G1121-Q1125 VanDerWaalsContact O-CB 3.27Å; G1121-Q1125 WeakPolarHBondContact O-CB 3.27Å; G1121-Q1125 PolarHBondContact O-N 2.99Å; E1122-Q1125 PolarHBondContact O-N 3.14Å; R1123-Q1125 VanDerWaalsContact C-N 3.29Å; R1123-Q1125 PolarHBondContact O-N 3.33Å; Q1125-T1128 PolarHBondContact O-N 3.22Å; Q1125-L1129 PolarHBondContact O-N 2.64Å |
| 1126 | A | 88.6 | Confident | 88.9 | Confident | 51 Ų | 51 | 53 Ų | 53 | 42% | 0.421 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.2 | -41.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E1122 R1123 T1128 L1129 L1130 | E1122-A1126 PolarHBondContact O-N 2.84Å; R1123-A1126 WeakPolarHBondContact O-CB 3.19Å; R1123-A1126 PolarHBondContact O-N 3.36Å; R1123-A1126 VanDerWaalsContact O-N 3.09Å; A1126-T1128 VanDerWaalsContact C-N 3.34Å; A1126-L1129 PolarHBondContact O-N 3.36Å; A1126-L1130 PolarHBondContact O-N 2.69Å |
| 1127 | L | 90.8 | Very high | 88.8 | Confident | 14 Ų | 14 | 51.4 Ų | 51.4 | 7% | 0.073 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.1 | -40.3 | 173.6 | -66 | 170 | 0 | 0 | 0 | 111.2 | L1083 E1086 I1087 E1090 R1123 L1124 L1129 L1130 M1131 | L1083-L1127 HydrophobicContact CD1-CB 4.44Å; L1083-L1127 HydrophobicContact CD1-CD2 3.56Å; E1086-L1127 HydrophobicContact CB-CD1 4.47Å; E1086-L1127 HydrophobicContact CB-CD2 4.17Å; I1087-L1127 HydrophobicContact CD1-CB 4.23Å; I1087-L1127 HydrophobicContact CG1-CB 3.61Å; I1087-L1127 HydrophobicContact CG1-CD1 4.16Å; I1087-L1127 HydrophobicContact CG1-CG 4.44Å; E1090-L1127 HydrophobicContact CB-CD1 4.03Å; E1090-L1127 HydrophobicContact CG-CD1 4.38Å; R1123-L1127 HydrophobicContact CG-CD1 3.92Å; R1123-L1127 HydrophobicContact CG-CG 4.22Å; R1123-L1127 WeakPolarHBondContact O-CG 3.49Å; R1123-L1127 PolarHBondContact O-N 3Å; L1124-L1127 PolarHBondContact O-N 2.72Å; L1127-L1129 VanDerWaalsContact C-N 3.35Å; L1127-L1129 PolarHBondContact O-N 3.2Å; L1127-L1130 WeakPolarHBondContact O-CB 3.48Å; L1127-L1130 PolarHBondContact O-N 3.14Å; L1127-M1131 PolarHBondContact O-N 2.75Å |
| 1128 | T | 88.2 | Confident | 88.7 | Confident | 50 Ų | 50 | 51.6 Ų | 51.6 | 31% | 0.307 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.8 | -40.1 | 175.1 | -57.4 | 0 | 0 | 0 | 0 | 112 | L1124 Q1125 A1126 M1131 I1132 | L1124-T1128 WeakPolarHBondContact O-CB 3.43Å; L1124-T1128 PolarHBondContact O-N 3.34Å; L1124-T1128 PolarHBondContact O-OG1 2.9Å; Q1125-T1128 PolarHBondContact O-N 3.22Å; A1126-T1128 VanDerWaalsContact C-N 3.34Å; T1128-M1131 HydrophobicContact CG2-CE 4.45Å; T1128-M1131 PolarHBondContact O-N 3.08Å; T1128-I1132 HydrophobicContact CG2-CD1 4.33Å; T1128-I1132 WeakPolarHBondContact O-CG1 3.32Å; T1128-I1132 PolarHBondContact O-N 3.36Å |
| 1129 | L | 87.8 | Confident | 88.5 | Confident | 33 Ų | 33 | 52.9 Ų | 52.9 | 17% | 0.173 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.7 | -42.3 | 173.3 | -71.8 | 176.9 | 0 | 0 | 0 | 111.8 | L1048 V1052 F1053 V1056 Q1125 A1126 L1127 M1131 I1132 H1133 | L1048-L1129 HydrophobicContact CD1-CD1 3.82Å; L1048-L1129 HydrophobicContact CD1-CD2 4.09Å; L1048-L1129 HydrophobicContact CD1-CG 4.15Å; V1052-L1129 HydrophobicContact CG1-CD1 4.39Å; V1052-L1129 HydrophobicContact CG1-CD2 4.48Å; F1053-L1129 HydrophobicContact CD1-CD2 3.8Å; F1053-L1129 HydrophobicContact CE1-CD2 3.6Å; F1053-L1129 HydrophobicContact CZ-CD2 4.33Å; V1056-L1129 WeakPolarHBondContact CG1-O 3.44Å; V1056-L1129 HydrophobicContact CG2-CD2 4.4Å; Q1125-L1129 PolarHBondContact O-N 2.64Å; A1126-L1129 PolarHBondContact O-N 3.36Å; L1127-L1129 VanDerWaalsContact C-N 3.35Å; L1127-L1129 PolarHBondContact O-N 3.2Å; L1129-M1131 VanDerWaalsContact C-N 3.26Å; L1129-M1131 PolarHBondContact O-N 2.86Å; L1129-I1132 PolarHBondContact O-N 2.79Å; L1129-H1133 WeakPolarHBondContact O-CB 3.41Å; L1129-H1133 PolarHBondContact O-N 3.29Å |
| 1130 | L | 88.9 | Confident | 88.2 | Confident | 76 Ų | 76 | 47 Ų | 47 | 40% | 0.398 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.7 | -34.4 | 173.6 | -72.1 | 169.3 | 0 | 0 | 0 | 111.9 | L1083 A1126 L1127 H1133 Y1134 | L1083-L1130 HydrophobicContact CD1-CB 4.11Å; L1083-L1130 HydrophobicContact CD1-CD1 4.33Å; L1083-L1130 VanDerWaalsContact CD2-C 3.4Å; L1083-L1130 HydrophobicContact CD2-CB 3.6Å; A1126-L1130 PolarHBondContact O-N 2.69Å; L1127-L1130 WeakPolarHBondContact O-CB 3.48Å; L1127-L1130 PolarHBondContact O-N 3.14Å; L1130-H1133 VanDerWaalsContact O-CB 3.25Å; L1130-H1133 WeakPolarHBondContact O-CB 3.46Å; L1130-H1133 PolarHBondContact O-N 3.44Å; L1130-Y1134 WeakPolarHBondContact O-CD2 3.23Å; L1130-Y1134 PolarHBondContact O-N 2.93Å |
| 1131 | M | 89.8 | Confident | 87.7 | Confident | 32 Ų | 32 | 47.7 Ų | 47.7 | 16% | 0.158 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.2 | -41.3 | 178 | -176.4 | 179.6 | 64.8 | 0 | 0 | 111 | L1080 L1083 I1087 L1127 T1128 L1129 H1133 R1135 | L1080-M1131 HydrophobicContact CD2-CG 4.15Å; L1083-M1131 VanDerWaalsContact CD2-CA 3.47Å; L1083-M1131 HydrophobicContact CD2-CB 3.84Å; I1087-M1131 HydrophobicContact CD1-CB 4.18Å; I1087-M1131 HydrophobicContact CD1-SD 3.91Å; L1127-M1131 PolarHBondContact O-N 2.75Å; T1128-M1131 HydrophobicContact CG2-CE 4.45Å; T1128-M1131 PolarHBondContact O-N 3.08Å; L1129-M1131 VanDerWaalsContact C-N 3.26Å; L1129-M1131 PolarHBondContact O-N 2.86Å; M1131-H1133 VanDerWaalsContact C-N 3.28Å; M1131-H1133 PolarHBondContact O-N 3.47Å; M1131-R1135 HydrophobicContact CG-CG 4.46Å; M1131-R1135 VanDerWaalsContact O-CB 3.31Å; M1131-R1135 WeakPolarHBondContact O-CB 3.5Å; M1131-R1135 VanDerWaalsContact O-CG 3.29Å; M1131-R1135 WeakPolarHBondContact O-CG 2.99Å; M1131-R1135 PolarHBondContact O-N 2.95Å; M1131-R1135 PolarHBondContact SD-NH2 3.35Å |
| 1132 | I | 89.4 | Confident | 87.2 | Confident | 35 Ų | 35 | 51.5 Ų | 51.5 | 18% | 0.179 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.1 | -34.1 | 172.8 | -67.1 | 168.5 | 0 | 0 | 0 | 111.1 | F1053 V1056 K1057 T1128 L1129 A1136 | F1053-I1132 HydrophobicContact CD1-CD1 3.69Å; F1053-I1132 HydrophobicContact CE1-CD1 3.67Å; V1056-I1132 HydrophobicContact CG1-CB 4.45Å; V1056-I1132 HydrophobicContact CG1-CG2 4.27Å; K1057-I1132 HydrophobicContact CD-CG2 4.35Å; K1057-I1132 HydrophobicContact CG-CG2 3.5Å; K1057-I1132 VanDerWaalsContact CG-CG2 3.5Å; T1128-I1132 HydrophobicContact CG2-CD1 4.33Å; T1128-I1132 WeakPolarHBondContact O-CG1 3.32Å; T1128-I1132 PolarHBondContact O-N 3.36Å; L1129-I1132 PolarHBondContact O-N 2.79Å; I1132-A1136 VanDerWaalsContact O-CB 3.26Å; I1132-A1136 WeakPolarHBondContact O-CB 3.41Å; I1132-A1136 PolarHBondContact O-N 2.82Å; I1132-A1136 VanDerWaalsContact O-N 3.07Å |
| 1133 | H | 88.4 | Confident | 86.4 | Confident | 35 Ų | 35 | 48.9 Ų | 48.9 | 16% | 0.162 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.3 | -52.4 | 175.8 | -166.3 | 46.8 | 0 | 0 | 0 | 111.8 | V1056 I1059 G1060 L1063 L1129 L1130 M1131 | V1056-H1133 HydrophobicContact CG1-CB 3.8Å; V1056-H1133 PolarHBondContact O-ND1 2.73Å; I1059-H1133 VanDerWaalsContact C-CE1 3.48Å; G1060-H1133 VanDerWaalsContact CA-ND1 3.27Å; G1060-H1133 WeakPolarHBondContact CA-ND1 3.48Å; G1060-H1133 WeakPolarHBondContact CA-O 3.41Å; G1060-H1133 PolarHBondContact N-CE1 2.78Å; G1060-H1133 PolarHBondContact N-ND1 3.15Å; L1063-H1133 WeakPolarHBondContact CD1-O 3.38Å; L1129-H1133 WeakPolarHBondContact O-CB 3.41Å; L1129-H1133 PolarHBondContact O-N 3.29Å; L1130-H1133 VanDerWaalsContact O-CB 3.25Å; L1130-H1133 WeakPolarHBondContact O-CB 3.46Å; L1130-H1133 PolarHBondContact O-N 3.44Å; M1131-H1133 VanDerWaalsContact C-N 3.28Å; M1131-H1133 PolarHBondContact O-N 3.47Å |
| 1134 | Y | 90.1 | Very high | 85.1 | Confident | 41 Ų | 41 | 48.3 Ų | 48.3 | 16% | 0.161 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -71.5 | -39.2 | 179.1 | -72.4 | -71 | 0 | 0 | 0 | 112.8 | L1063 Y1064 L1076 M1079 L1083 L1130 A1136 G1137 I1138 | L1063-Y1134 HydrophobicContact CD1-CD1 3.59Å; L1063-Y1134 HydrophobicContact CD1-CE1 3.94Å; L1063-Y1134 HydrophobicContact CD1-CG 4.2Å; Y1064-Y1134 HydrophobicContact CE2-CE1 4.18Å; L1076-Y1134 HydrophobicContact CD2-CD1 3.94Å; M1079-Y1134 HydrophobicContact CB-CD1 3.95Å; M1079-Y1134 HydrophobicContact CB-CE1 3.83Å; M1079-Y1134 HydrophobicContact CB-CE2 4.5Å; M1079-Y1134 HydrophobicContact CB-CG 4.37Å; M1079-Y1134 HydrophobicContact CG-CE1 4.19Å; L1083-Y1134 HydrophobicContact CD2-CD2 4.07Å; L1130-Y1134 WeakPolarHBondContact O-CD2 3.23Å; L1130-Y1134 PolarHBondContact O-N 2.93Å; Y1134-A1136 VanDerWaalsContact C-N 3.33Å; Y1134-A1136 PolarHBondContact O-N 3.43Å; Y1134-G1137 WeakPolarHBondContact O-CA 3.36Å; Y1134-G1137 PolarHBondContact O-N 2.73Å; Y1134-I1138 PolarHBondContact O-N 2.9Å |
| 1135 | R | 88.4 | Confident | 83.3 | Confident | 116 Ų | 116 | 53.7 Ų | 53.7 | 44% | 0.438 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.3 | -40 | 175.6 | -73.9 | -176.8 | -171.2 | -166.6 | 2.7 | 112 | L1080 M1131 G1137 I1138 E1139 | L1080-R1135 HydrophobicContact CD1-CG 3.76Å; L1080-R1135 HydrophobicContact CD2-CG 3.72Å; L1080-R1135 HydrophobicContact CG-CG 4.43Å; M1131-R1135 HydrophobicContact CG-CG 4.46Å; M1131-R1135 VanDerWaalsContact O-CB 3.31Å; M1131-R1135 WeakPolarHBondContact O-CB 3.5Å; M1131-R1135 VanDerWaalsContact O-CG 3.29Å; M1131-R1135 WeakPolarHBondContact O-CG 2.99Å; M1131-R1135 PolarHBondContact O-N 2.95Å; M1131-R1135 PolarHBondContact SD-NH2 3.35Å; R1135-G1137 PolarHBondContact O-N 2.82Å; R1135-G1137 VanDerWaalsContact O-N 3.16Å; R1135-I1138 PolarHBondContact O-N 2.92Å; R1135-E1139 WeakPolarHBondContact O-CG 3.4Å; R1135-E1139 PolarHBondContact O-N 2.99Å |
| 1136 | A | 88.6 | Confident | 81.3 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.3 | -18.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | K1057 R1061 I1132 Y1134 D1140 | K1057-A1136 HydrophobicContact CB-CB 3.99Å; K1057-A1136 HydrophobicContact CD-CB 4.38Å; K1057-A1136 HydrophobicContact CG-CB 3.96Å; K1057-A1136 WeakPolarHBondContact O-CB 3.49Å; R1061-A1136 HydrophobicContact CG-CB 4.49Å; R1061-A1136 WeakPolarHBondContact CG-O 3.3Å; I1132-A1136 VanDerWaalsContact O-CB 3.26Å; I1132-A1136 WeakPolarHBondContact O-CB 3.41Å; I1132-A1136 PolarHBondContact O-N 2.82Å; I1132-A1136 VanDerWaalsContact O-N 3.07Å; Y1134-A1136 VanDerWaalsContact C-N 3.33Å; Y1134-A1136 PolarHBondContact O-N 3.43Å; A1136-D1140 PolarHBondContact O-N 3.14Å |
| 1137 | G | 85.6 | Confident | 78.9 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -76.7 | -26.4 | 170 | 0 | 0 | 0 | 0 | 0 | 113.8 | G1060 L1076 Y1134 R1135 D1140 | G1060-G1137 WeakPolarHBondContact O-CA 3.39Å; L1076-G1137 VanDerWaalsContact CD1-C 3.46Å; L1076-G1137 WeakPolarHBondContact CD1-O 3.33Å; Y1134-G1137 WeakPolarHBondContact O-CA 3.36Å; Y1134-G1137 PolarHBondContact O-N 2.73Å; R1135-G1137 PolarHBondContact O-N 2.82Å; R1135-G1137 VanDerWaalsContact O-N 3.16Å; G1137-D1140 WeakPolarHBondContact O-CB 3.27Å |
| 1138 | I | 86.6 | Confident | 75.9 | Confident | 26 Ų | 26 | 62.6 Ų | 62.6 | 13% | 0.133 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -86.1 | -41.7 | 175.2 | -58.5 | -174.1 | 0 | 0 | 0 | 110.2 | L1076 E1077 L1080 Y1134 R1135 D1140 L1141 E1142 | L1076-I1138 HydrophobicContact CB-CD1 3.95Å; L1076-I1138 HydrophobicContact CB-CG1 3.65Å; L1076-I1138 HydrophobicContact CD1-CG1 3.95Å; L1076-I1138 HydrophobicContact CG-CG1 4.41Å; E1077-I1138 HydrophobicContact CG-CD1 3.89Å; L1080-I1138 HydrophobicContact CD1-CD1 3.53Å; L1080-I1138 HydrophobicContact CD1-CG1 4.46Å; Y1134-I1138 PolarHBondContact O-N 2.9Å; R1135-I1138 PolarHBondContact O-N 2.92Å; I1138-D1140 PolarHBondContact O-N 3.43Å; I1138-D1140 VanDerWaalsContact O-N 3.09Å; I1138-L1141 WeakPolarHBondContact O-CA 3.3Å; I1138-L1141 WeakPolarHBondContact O-CB 3.32Å; I1138-L1141 PolarHBondContact O-N 2.85Å; I1138-E1142 HydrophobicContact CG2-CG 4.25Å; I1138-E1142 PolarHBondContact O-N 3.43Å |
| 1139 | E | 85.8 | Confident | 73.3 | Confident | 81 Ų | 81 | 66.2 Ų | 66.2 | 38% | 0.379 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -53 | -31.7 | 169.6 | -66.5 | 170.3 | -171 | 0 | 0 | 111.6 | K1057 R1135 S1143 | K1057-E1139 IonicContact NZ-OE1 3.59Å; K1057-E1139 PolarHBondContact NZ-OE1 2.71Å; K1057-E1139 IonicContact NZ-OE2 2.9Å; K1057-E1139 PolarHBondContact NZ-OE2 2.93Å; R1135-E1139 WeakPolarHBondContact O-CG 3.4Å; R1135-E1139 PolarHBondContact O-N 2.99Å; E1139-S1143 WeakPolarHBondContact O-CB 3.42Å; E1139-S1143 PolarHBondContact O-N 2.91Å; E1139-S1143 VanDerWaalsContact O-N 3.16Å; E1139-S1143 PolarHBondContact O-OG 3.29Å |
| 1140 | D | 83.2 | Confident | 70.7 | Confident | 14 Ų | 14 | 70.1 Ų | 70.1 | 8% | 0.075 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65 | -43 | 173 | -165 | 72 | 0 | 0 | 0 | 112.3 | R1061 R1065 R1072 A1136 G1137 I1138 S1143 V1144 | R1061-D1140 HydrophobicContact CB-CB 4.22Å; R1061-D1140 WeakPolarHBondContact CB-OD1 3.41Å; R1061-D1140 HydrophobicContact CG-CB 4.06Å; R1065-D1140 IonicContact CZ-OD1 3.97Å; R1065-D1140 IonicContact CZ-OD2 3.6Å; R1065-D1140 IonicContact NE-OD2 3.59Å; R1065-D1140 IonicContact NH2-OD1 2.67Å; R1065-D1140 PolarHBondContact NH2-OD1 2.97Å; R1065-D1140 IonicContact NH2-OD2 3.57Å; R1065-D1140 PolarHBondContact NH2-OD2 3.28Å; R1072-D1140 IonicContact CZ-OD2 2.77Å; R1072-D1140 IonicContact NH1-OD2 3.47Å; R1072-D1140 PolarHBondContact NH1-OD2 2.93Å; R1072-D1140 IonicContact NH2-OD2 3.59Å; R1072-D1140 PolarHBondContact NH2-OD2 3.19Å; R1072-D1140 VanDerWaalsContact NH2-OD2 3.15Å; A1136-D1140 PolarHBondContact O-N 3.14Å; G1137-D1140 WeakPolarHBondContact O-CB 3.27Å; I1138-D1140 PolarHBondContact O-N 3.43Å; I1138-D1140 VanDerWaalsContact O-N 3.09Å; D1140-S1143 PolarHBondContact O-OG 3Å; D1140-V1144 WeakPolarHBondContact O-CG2 3.27Å; D1140-V1144 PolarHBondContact O-N 3.07Å |
| 1141 | L | 79.5 | Confident | 67.8 | Low | 19 Ų | 19 | 75.8 Ų | 75.8 | 10% | 0.099 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -69.8 | -52.1 | -179.7 | -67.8 | 174.4 | 0 | 0 | 0 | 111.5 | T1069 R1072 L1076 I1138 S1143 V1144 E1145 | T1069-L1141 HydrophobicContact CG2-CD2 3.89Å; R1072-L1141 HydrophobicContact CG-CD1 4.23Å; R1072-L1141 HydrophobicContact CG-CD2 4.4Å; L1076-L1141 HydrophobicContact CD1-CD1 4.05Å; I1138-L1141 WeakPolarHBondContact O-CA 3.3Å; I1138-L1141 WeakPolarHBondContact O-CB 3.32Å; I1138-L1141 PolarHBondContact O-N 2.85Å; L1141-S1143 PolarHBondContact O-N 3.33Å; L1141-V1144 PolarHBondContact O-N 2.93Å; L1141-E1145 PolarHBondContact O-N 3.02Å |
| 1142 | E | 76.3 | Confident | 65 | Low | 114 Ų | 114 | 82.8 Ų | 82.8 | 53% | 0.533 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -54.8 | -37.5 | 176.4 | -64.9 | 169.8 | 171 | 0 | 0 | 111.1 | I1138 S1146 | I1138-E1142 HydrophobicContact CG2-CG 4.25Å; I1138-E1142 PolarHBondContact O-N 3.43Å; E1142-S1146 WeakPolarHBondContact O-CB 3.46Å; E1142-S1146 PolarHBondContact O-N 3.39Å; E1142-S1146 VanDerWaalsContact O-N 3.1Å; E1142-S1146 PolarHBondContact O-OG 3.25Å |
| 1143 | S | 72.2 | Confident | 62 | Low | 56 Ų | 56 | 91 Ų | 91 | 39% | 0.392 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -73.3 | -21.9 | 177.5 | 76.4 | 0 | 0 | 0 | 0 | 115 | E1139 D1140 L1141 M1147 | E1139-S1143 WeakPolarHBondContact O-CB 3.42Å; E1139-S1143 PolarHBondContact O-N 2.91Å; E1139-S1143 VanDerWaalsContact O-N 3.16Å; E1139-S1143 PolarHBondContact O-OG 3.29Å; D1140-S1143 PolarHBondContact O-OG 3Å; L1141-S1143 PolarHBondContact O-N 3.33Å; S1143-M1147 WeakPolarHBondContact O-CG 3.39Å |
| 1144 | V | 61.2 | Low | 59 | Low | 97 Ų | 97 | 92.7 Ų | 92.7 | 59% | 0.588 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -84.3 | -42.9 | 175.4 | 168 | 0 | 0 | 0 | 0 | 110.1 | D1140 L1141 S1146 M1147 | D1140-V1144 WeakPolarHBondContact O-CG2 3.27Å; D1140-V1144 PolarHBondContact O-N 3.07Å; L1141-V1144 PolarHBondContact O-N 2.93Å; V1144-S1146 VanDerWaalsContact C-N 3.33Å; V1144-S1146 PolarHBondContact O-N 3.19Å; V1144-M1147 PolarHBondContact O-N 3.17Å |
| 1145 | E | 54.2 | Low | 55.9 | Low | 152 Ų | 152 | 100.5 Ų | 100.5 | 71% | 0.71 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.5 | -36.7 | 178.6 | -167.2 | 169.4 | -166.7 | 0 | 0 | 112.1 | L1141 M1147 | L1141-E1145 PolarHBondContact O-N 3.02Å; E1145-M1147 VanDerWaalsContact C-N 3.31Å; E1145-M1147 PolarHBondContact O-N 2.98Å |
| 1146 | S | 43.5 | Very low | 52.9 | Low | 95 Ų | 95 | 104.1 Ų | 104.1 | 66% | 0.664 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 2.2 | 177.2 | 57.1 | 0 | 0 | 0 | 0 | 115.8 | E1142 V1144 | E1142-S1146 WeakPolarHBondContact O-CB 3.46Å; E1142-S1146 PolarHBondContact O-N 3.39Å; E1142-S1146 VanDerWaalsContact O-N 3.1Å; E1142-S1146 PolarHBondContact O-OG 3.25Å; V1144-S1146 VanDerWaalsContact C-N 3.33Å; V1144-S1146 PolarHBondContact O-N 3.19Å |
| 1147 | M | 38.2 | Very low | 50 | Low | 160 Ų | 160 | 109.3 Ų | 109.3 | 79% | 0.788 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.9 | 2.4 | 173.5 | -75.3 | -168 | 72.6 | 0 | 0 | 114.2 | S1143 V1144 E1145 | S1143-M1147 WeakPolarHBondContact O-CG 3.39Å; V1144-M1147 PolarHBondContact O-N 3.17Å; E1145-M1147 VanDerWaalsContact C-N 3.31Å; E1145-M1147 PolarHBondContact O-N 2.98Å |
| 1148 | S | 28.1 | Very low | 47.2 | Very low | 83 Ų | 83 | 119.2 Ų | 119.2 | 58% | 0.58 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -69 | 127.2 | 171.1 | -62.6 | 0 | 0 | 0 | 0 | 111.3 | ||
| 1149 | P | 34.6 | Very low | 44.2 | Very low | 126 Ų | 126 | 122.1 Ų | 122.1 | 82% | 0.818 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 130.7 | 178 | 29.9 | -33.7 | 0 | 0 | 0 | 111.1 | ||
| 1150 | S | 31.9 | Very low | 41.2 | Very low | 114 Ų | 114 | 127.4 Ų | 127.4 | 80% | 0.797 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 131.3 | -174.7 | 41.9 | 0 | 0 | 0 | 0 | 113.7 | ||
| 1151 | E | 29.3 | Very low | 38.4 | Very low | 196 Ų | 196 | 131.6 Ų | 131.6 | 92% | 0.916 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -75 | 146 | 171.8 | -66.9 | -162.3 | 130.1 | 0 | 0 | 112.3 | ||
| 1152 | Q | 29.2 | Very low | 36 | Very low | 179 Ų | 179 | 136.8 Ų | 136.8 | 84% | 0.836 | 75% | 0.748 | S | S | * | * | trans | -107.5 | 104.7 | 179.2 | -70.6 | -173.7 | -8.5 | 0 | 0 | 112.6 | ||||
| 1153 | Q | 27.8 | Very low | 33.6 | Very low | 206 Ų | 206 | 139.3 Ų | 139.3 | 96% | 0.963 | 76% | 0.76 | S | S | * | * | trans | -175.7 | 147.5 | 147 | -103.1 | 148.5 | 74 | 0 | 0 | 109.4 | ||||
| 1154 | G | 24.9 | Very low | 31.5 | Very low | 71 Ų | 71 | 143.3 Ų | 143.3 | 73% | 0.732 | 77% | 0.773 | S | S | * | * | cis | 152.9 | 99.7 | -2.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1155 | F | 24.1 | Very low | 29.9 | Very low | 206 Ų | 206 | 147.4 Ų | 147.4 | 90% | 0.904 | 79% | 0.785 | S | S | * | * | trans | -118 | 140.7 | -175.6 | -118.9 | -95.4 | 0 | 0 | 0 | 112.7 | ||||
| 1156 | K | 27.2 | Very low | 28.5 | Very low | 191 Ų | 191 | 144.8 Ų | 144.8 | 83% | 0.83 | 78% | 0.78 | S | S | * | * | trans | -140.7 | 154 | 175.3 | -95.2 | -172.8 | 175.2 | 179.5 | 0 | 110.6 | ||||
| 1157 | S | 26.5 | Very low | 27.8 | Very low | 110 Ų | 110 | 146.8 Ų | 146.8 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | 71.7 | 146.5 | -176.7 | 82.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1158 | K | 26.7 | Very low | 27.3 | Very low | 208 Ų | 208 | 147.1 Ų | 147.1 | 90% | 0.904 | 78% | 0.784 | S | S | * | * | cis | -145.5 | 165.5 | 4.4 | -144.9 | 174.2 | -179.8 | -171.9 | 0 | 111.6 | ||||
| 1159 | A | 24 | Very low | 27.2 | Very low | 86 Ų | 86 | 146.2 Ų | 146.2 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | -80.7 | 162.5 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1160 | E | 23.7 | Very low | 27.9 | Very low | 192 Ų | 192 | 145.8 Ų | 145.8 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | 179.6 | 159.6 | 118.1 | -97.8 | 172.3 | 177.9 | 0 | 0 | 113.3 | |||||
| 1161 | S | 24.1 | Very low | 27.6 | Very low | 102 Ų | 102 | 148.9 Ų | 148.9 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | trans | 65.7 | 139.1 | 175.3 | -133.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1162 | L | 27.5 | Very low | 27.5 | Very low | 128 Ų | 128 | 144.5 Ų | 144.5 | 67% | 0.67 | 77% | 0.773 | S | S | * | * | cis | 73.9 | 135.9 | 22.5 | -64.9 | 66.2 | 0 | 0 | 0 | 113.4 | ||||
| 1163 | E | 26.8 | Very low | 27.5 | Very low | 167 Ų | 167 | 145.7 Ų | 145.7 | 78% | 0.78 | 77% | 0.771 | S | S | * | * | cis | -162.9 | 167 | -4.1 | -116.2 | 155.5 | -168.4 | 0 | 0 | 108.3 | ||||
| 1164 | E | 28.6 | Very low | 27.5 | Very low | 140 Ų | 140 | 141.3 Ų | 141.3 | 65% | 0.654 | 76% | 0.755 | S | S | * | * | cis | -121.9 | -96.2 | 1.9 | -174.7 | -159.3 | 121 | 0 | 0 | 112.3 | V1166 | E1164-V1166 WeakPolarHBondContact OE1-CA 3.41Å; E1164-V1166 WeakPolarHBondContact OE1-CG2 3.24Å; E1164-V1166 PolarHBondContact OE1-N 3.22Å | ||
| 1165 | E | 27.2 | Very low | 27.6 | Very low | 183 Ų | 183 | 142 Ų | 142 | 86% | 0.855 | 75% | 0.749 | S | S | * | * | cis | -141.4 | 114.7 | -1.6 | -174.2 | -179.3 | -174.5 | 0 | 0 | 112.1 | ||||
| 1166 | V | 25 | Very low | 27.8 | Very low | 97 Ų | 97 | 138.7 Ų | 138.7 | 59% | 0.588 | 74% | 0.74 | S | S | * | * | trans | 49.5 | 100.4 | 152.9 | -167.1 | 0 | 0 | 0 | 0 | 120.3 | E1164 | E1164-V1166 WeakPolarHBondContact OE1-CA 3.41Å; E1164-V1166 WeakPolarHBondContact OE1-CG2 3.24Å; E1164-V1166 PolarHBondContact OE1-N 3.22Å | ||
| 1167 | L | 27.8 | Very low | 27.8 | Very low | 137 Ų | 137 | 136.1 Ų | 136.1 | 72% | 0.717 | 73% | 0.734 | S | S | * | * | 28.3 | 138.6 | 126.3 | -74.9 | 70.4 | 0 | 0 | 0 | 119.2 | |||||
| 1168 | M | 28.5 | Very low | 27.8 | Very low | 168 Ų | 168 | 136.8 Ų | 136.8 | 83% | 0.828 | 74% | 0.737 | S | S | * | * | -156.6 | 143.7 | 62 | -84.1 | -73.7 | -74.8 | 0 | 0 | 115.1 | |||||
| 1169 | G | 26 | Very low | 27.7 | Very low | 64 Ų | 64 | 131.9 Ų | 131.9 | 66% | 0.66 | 73% | 0.729 | S | S | * | * | 97.2 | 105.2 | 127.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 1170 | P | 49.5 | Very low | 28.4 | Very low | 116 Ų | 116 | 133 Ų | 133 | 75% | 0.753 | 73% | 0.729 | S | S | * | * | trans | -102 | -178.5 | 175.7 | 39.1 | -30.8 | 0 | 0 | 0 | 112.8 | ||||
| 1171 | E | 25 | Very low | 28.4 | Very low | 179 Ų | 179 | 129.4 Ų | 129.4 | 84% | 0.836 | 72% | 0.72 | S | S | * | * | 155.5 | 149.9 | 128.9 | -84.9 | -164.8 | -165.5 | 0 | 0 | 112.4 | |||||
| 1172 | V | 28.3 | Very low | 28.4 | Very low | 105 Ų | 105 | 132.7 Ų | 132.7 | 64% | 0.636 | 72% | 0.724 | S | S | * | * | cis | -167.1 | 156.6 | -33.3 | 98.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1173 | Y | 29 | Very low | 28.3 | Very low | 203 Ų | 203 | 132.8 Ų | 132.8 | 80% | 0.796 | 73% | 0.73 | S | S | * | * | trans | 67.7 | 159.5 | 161.7 | -86.3 | -138.6 | 0 | 0 | 0 | 120.9 | ||||
| 1174 | D | 26.9 | Very low | 28.7 | Very low | 115 Ų | 115 | 130.1 Ų | 130.1 | 62% | 0.615 | 73% | 0.727 | S | S | * | * | cis | -175 | 177.1 | -33.5 | -171.2 | 37.5 | 0 | 0 | 0 | 110.6 | ||||
| 1175 | S | 27.6 | Very low | 28.5 | Very low | 86 Ų | 86 | 130.5 Ų | 130.5 | 60% | 0.601 | 73% | 0.733 | S | S | * | * | trans | 97 | 83 | 141.7 | -52 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1176 | D | 27.5 | Very low | 28.3 | Very low | 136 Ų | 136 | 128.8 Ų | 128.8 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | 70.6 | 137.2 | 104.1 | -93.7 | -9.6 | 0 | 0 | 0 | 126 | |||||
| 1177 | I | 28.4 | Very low | 28.3 | Very low | 137 Ų | 137 | 130.2 Ų | 130.2 | 70% | 0.703 | 73% | 0.731 | S | S | * | * | 97 | 122.1 | 129.8 | -79.1 | 168.1 | 0 | 0 | 0 | 123.3 | |||||
| 1178 | C | 25.1 | Very low | 28.3 | Very low | 124 Ų | 124 | 132 Ų | 132 | 84% | 0.838 | 74% | 0.735 | S | S | * | * | trans | 68.6 | 135.2 | 151 | -79.4 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 1179 | S | 26.4 | Very low | 28.2 | Very low | 105 Ų | 105 | 131.2 Ų | 131.2 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | trans | -80.5 | 169.8 | 154.3 | 62 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1180 | P | 37.1 | Very low | 28.1 | Very low | 110 Ų | 110 | 132.1 Ų | 132.1 | 71% | 0.714 | 73% | 0.729 | S | S | * | * | -156.6 | 149.9 | 91.6 | 38.9 | -19.4 | 0 | 0 | 0 | 119.3 | |||||
| 1181 | V | 25.2 | Very low | 26.9 | Very low | 115 Ų | 115 | 135.2 Ų | 135.2 | 70% | 0.697 | 73% | 0.734 | S | S | * | * | trans | 75.6 | 150.7 | 132.3 | 170.4 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1182 | E | 23.4 | Very low | 27.1 | Very low | 172 Ų | 172 | 134.4 Ų | 134.4 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | trans | 66.8 | 122.6 | 167.2 | -82.2 | 148.2 | -142.3 | 0 | 0 | 118.6 | ||||
| 1183 | V | 24.8 | Very low | 27 | Very low | 130 Ų | 130 | 136.2 Ų | 136.2 | 79% | 0.788 | 73% | 0.731 | S | S | * | * | cis | 67.5 | 130.6 | 33.7 | -174.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1184 | P | 35 | Very low | 27 | Very low | 111 Ų | 111 | 131.9 Ų | 131.9 | 72% | 0.721 | 72% | 0.721 | S | S | * | * | cis | -135.9 | 159.5 | 22.7 | 18.6 | 8.5 | 0 | 0 | 0 | 119.9 | ||||
| 1185 | L | 24.8 | Very low | 27 | Very low | 148 Ų | 148 | 130 Ų | 130 | 78% | 0.775 | 72% | 0.716 | S | S | * | * | 44.8 | 157.4 | 120.5 | -118.4 | 147.7 | 0 | 0 | 0 | 124.3 | |||||
| 1186 | M | 24.2 | Very low | 27.1 | Very low | 146 Ų | 146 | 129.4 Ų | 129.4 | 72% | 0.719 | 71% | 0.708 | S | S | * | * | trans | 82.6 | 146.3 | 165.3 | -36.4 | -140.4 | 90.5 | 0 | 0 | 116.4 | ||||
| 1187 | D | 24.2 | Very low | 26.8 | Very low | 128 Ų | 128 | 132 Ų | 132 | 68% | 0.684 | 72% | 0.716 | S | S | * | * | cis | -156.5 | 170.7 | -18.5 | -109.3 | -4.6 | 0 | 0 | 0 | 112.1 | ||||
| 1188 | E | 27.9 | Very low | 26.7 | Very low | 174 Ų | 174 | 129.2 Ų | 129.2 | 81% | 0.813 | 71% | 0.714 | S | S | * | * | trans | -44 | -169.2 | 170.9 | -159.3 | 167.7 | -125 | 0 | 0 | 119.1 | ||||
| 1189 | I | 26.3 | Very low | 26.7 | Very low | 152 Ų | 152 | 131.3 Ų | 131.3 | 78% | 0.779 | 72% | 0.716 | S | S | * | * | trans | 83.3 | 139.8 | 172.3 | -51.6 | 169.3 | 0 | 0 | 0 | 115.6 | ||||
| 1190 | S | 23.5 | Very low | 26.8 | Very low | 83 Ų | 83 | 138.6 Ų | 138.6 | 58% | 0.58 | 74% | 0.737 | S | S | * | * | cis | -167 | 168.6 | -32.4 | 65.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1191 | E | 25.5 | Very low | 26.3 | Very low | 181 Ų | 181 | 140 Ų | 140 | 85% | 0.846 | 74% | 0.739 | S | S | * | * | trans | 65.9 | 179.8 | 148.6 | -74.5 | 171.3 | 179 | 0 | 0 | 121.6 | ||||
| 1192 | E | 27.4 | Very low | 26.4 | Very low | 161 Ų | 161 | 141.3 Ų | 141.3 | 75% | 0.752 | 74% | 0.741 | S | S | * | * | trans | -122.5 | -178.8 | -149.6 | -53.6 | -176 | 128.4 | 0 | 0 | 115.2 | ||||
| 1193 | Q | 27.7 | Very low | 26.5 | Very low | 144 Ų | 144 | 139.6 Ų | 139.6 | 67% | 0.673 | 74% | 0.737 | S | S | * | * | trans | 92.9 | 172.5 | 138.3 | -145.4 | 175.4 | 96.1 | 0 | 0 | 120.2 | ||||
| 1194 | I | 27.8 | Very low | 26.6 | Very low | 112 Ų | 112 | 140.2 Ų | 140.2 | 57% | 0.574 | 73% | 0.734 | S | S | * | * | trans | 72.5 | 168 | 173.7 | -52.7 | -179 | 0 | 0 | 0 | 113.3 | D657 K658 | D657-I1194 VanDerWaalsContact C-C 3.4Å; D657-I1194 CarbonylContact C-O 3.22Å; D657-I1194 WeakPolarHBondContact CA-O 3.4Å; D657-I1194 WeakPolarHBondContact CB-O 2.99Å; D657-I1194 PolarHBondContact N-O 2.85Å; D657-I1194 CarbonylContact O-C 3.47Å; K658-I1194 PolarHBondContact N-O 3.32Å | ||
| 1195 | C | 26.6 | Very low | 26.1 | Very low | 76 Ų | 76 | 142 Ų | 142 | 51% | 0.514 | 74% | 0.735 | S | S | . | * | B | Isolated β-bridge | -150.2 | 148.9 | -91 | -87.5 | 0 | 0 | 0 | 0 | 114.6 | S655 L656 D657 | S655-C1195 CarbonylContact O-C 3.56Å; S655-C1195 VanDerWaalsContact O-CA 3.32Å; S655-C1195 WeakPolarHBondContact O-CA 3.42Å; S655-C1195 WeakPolarHBondContact O-CB 3.42Å; S655-C1195 PolarHBondContact O-SG 2.7Å; L656-C1195 PolarHBondContact N-SG 3.37Å; D657-C1195 VanDerWaalsContact N-CA 3.3Å; D657-C1195 CarbonylContact O-C 3.45Å; D657-C1195 VanDerWaalsContact O-CA 3.3Å; D657-C1195 WeakPolarHBondContact O-CA 3.39Å; D657-C1195 PolarHBondContact O-N 2.8Å | |
| 1196 | V | 29.4 | Very low | 26.2 | Very low | 73 Ų | 73 | 141.6 Ų | 141.6 | 44% | 0.442 | 73% | 0.733 | S | S | . | * | trans | -43.2 | 138 | -159.4 | 145.1 | 0 | 0 | 0 | 0 | 118.8 | S655 L656 A1198 | S655-V1196 PolarHBondContact O-N 2.77Å; L656-V1196 VanDerWaalsContact C-N 3.32Å; L656-V1196 VanDerWaalsContact CA-CG2 3.49Å; L656-V1196 HydrophobicContact CB-CG2 3.85Å; V1196-A1198 HydrophobicContact CG1-CB 4.27Å | ||
| 1197 | E | 23.1 | Very low | 26.3 | Very low | 189 Ų | 189 | 141.3 Ų | 141.3 | 88% | 0.883 | 73% | 0.733 | S | S | * | * | trans | -137.9 | 131.9 | 130.7 | -75 | -170.3 | 142.6 | 0 | 0 | 108 | ||||
| 1198 | A | 24.3 | Very low | 26.5 | Very low | 79 Ų | 79 | 142.3 Ų | 142.3 | 65% | 0.653 | 74% | 0.737 | S | S | * | * | cis | 92 | 136.9 | 37.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | V1196 | V1196-A1198 HydrophobicContact CG1-CB 4.27Š| ||
| 1199 | L | 25.2 | Very low | 26.4 | Very low | 168 Ų | 168 | 139.7 Ų | 139.7 | 88% | 0.88 | 73% | 0.731 | S | S | * | * | trans | 68.5 | 84.7 | 174.1 | -60 | 166.6 | 0 | 0 | 0 | 118.3 | ||||
| 1200 | H | 29.6 | Very low | 26.4 | Very low | 258 Ų | 258 | 138.5 Ų | 138.5 | 100% | 1.194 | 73% | 0.727 | S | S | * | * | -154.7 | 0 | 109.9 | -130.7 | -57.3 | 0 | 0 | 0 | 115.4 |
Retrieved 1,200 of 1,200 residues in 911.9 ms
(Link to these results)